2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide

C23H29N3O3 — CID 123163850

IUPAC2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide
SMILESNC(=O)CN1CC2C3N(CC4CC4)CCC34Cc3ccc(O)cc3C2(CC1=O)C4
InChIInChI=1S/C23H29N3O3/c24-19(28)12-26-11-18-21-22(5-6-25(21)10-14-1-2-14)8-15-3-4-16(27)7-17(15)23(18,13-22)9-20(26)29/h3-4,7,14,18,21,27H,1-2,5-6,8-13H2,(H2,24,28)
InChIKeyGYWQPAHJNSESPY-UHFFFAOYSA-N
MW395.50 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide

2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide (PubChem CID 123163850) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide
PubChem CID123163850
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide
SMILESNC(=O)CN1CC2C3N(CC4CC4)CCC34Cc3ccc(O)cc3C2(CC1=O)C4
InChIInChI=1S/C23H29N3O3/c24-19(28)12-26-11-18-21-22(5-6-25(21)10-14-1-2-14)8-15-3-4-16(27)7-17(15)23(18,13-22)9-20(26)29/h3-4,7,14,18,21,27H,1-2,5-6,8-13H2,(H2,24,28)
InChIKeyGYWQPAHJNSESPY-UHFFFAOYSA-N
XLogP1.39
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide with MolForge

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Related Compounds

(1S,9R,10S)-17-(cyclopropylmethyl)-4-hydroxy-12-(2-oxopropyl)-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 90222887
2-[(9R,10S)-17-(cyclopropylmethyl)-4-hydroxy-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide
CID 126581598
(1R,9R,10R)-17-(cyclopropylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 23307210
17-(cyclopropylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-12-one
CID 123671917
(1S,10R,11R)-N-(2-amino-2-oxoethyl)-21-(cyclopropylmethyl)-16-hydroxy-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carboxamide
CID 74766534
(1S,9S,10R)-17-(cyclopropylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;methanesulfonic acid
CID 3056063
2-[(4aR)-7-(cyclopropylmethyl)-4a-(2-ethyl-5-hydroxyphenyl)-8-methyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]acetic acid
CID 126581632
21-(cyclopropylmethyl)-16-hydroxy-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carboxylic acid
CID 139271649
(9R)-17-(cyclopropylmethyl)-4-hydroxy-12-[(4-hydroxyphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-13-one
CID 126581638
(2S)-2-[[(10R)-21-(cyclopropylmethyl)-16-hydroxy-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carbonyl]amino]butanediamide
CID 144643692
(1R,9R,10R)-16-(cyclobutylmethyl)-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol
CID 15177909
12-(2-amino-1-hydroxypropyl)-17-(cyclopropylmethyl)-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 123213563

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide (CID 123163850) is 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide is NC(=O)CN1CC2C3N(CC4CC4)CCC34Cc3ccc(O)cc3C2(CC1=O)C4.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide?
The InChIKey is GYWQPAHJNSESPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c24-19(28)12-26-11-18-21-22(5-6-25(21)10-14-1-2-14)8-15-3-4-16(27)7-17(15)23(18,13-22)9-20(26)29/h3-4,7,14,18,21,27H,1-2,5-6,8-13H2,(H2,24,28).
What are the key properties of 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide?
2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-14-hydroxy-9-oxo-4,8-diazapentacyclo[9.7.1.01,5.06,11.012,17]nonadeca-12(17),13,15-trien-8-yl]acetamide is sourced from PubChem (CID 123163850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).