(2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide

C19H25N5O3 — CID 126673750

IUPAC(2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCOCC1)n3CCCO2)C1CC1
InChIInChI=1S/C19H25N5O3/c20-18(25)16(12-2-3-12)21-13-10-14-17-15(11-13)27-7-1-4-24(17)19(22-14)23-5-8-26-9-6-23/h10-12,16,21H,1-9H2,(H2,20,25)/t16-/m0/s1
InChIKeyNAYUWALBKDBADS-INIZCTEOSA-N
MW371.44 g/mol
LogP1.33
Rot. Bonds5

About (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide

(2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide (PubChem CID 126673750) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide
PubChem CID126673750
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCOCC1)n3CCCO2)C1CC1
InChIInChI=1S/C19H25N5O3/c20-18(25)16(12-2-3-12)21-13-10-14-17-15(11-13)27-7-1-4-24(17)19(22-14)23-5-8-26-9-6-23/h10-12,16,21H,1-9H2,(H2,20,25)/t16-/m0/s1
InChIKeyNAYUWALBKDBADS-INIZCTEOSA-N
XLogP1.33
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
The IUPAC name of (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide (CID 126673750) is (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide is NC(=O)[C@@H](Nc1cc2c3c(c1)nc(N1CCOCC1)n3CCCO2)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
The InChIKey is NAYUWALBKDBADS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O3/c20-18(25)16(12-2-3-12)21-13-10-14-17-15(11-13)27-7-1-4-24(17)19(22-14)23-5-8-26-9-6-23/h10-12,16,21H,1-9H2,(H2,20,25)/t16-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide?
(2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-[(2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide is sourced from PubChem (CID 126673750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).