N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide

C20H27N3O5 — CID 135191362

IUPACN-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide
SMILESCCCC1(O)C2C(=O)c3ccc(OC)cc3C1(CC(=O)NC(N)=O)CCN2C
InChIInChI=1S/C20H27N3O5/c1-4-7-20(27)17-16(25)13-6-5-12(28-3)10-14(13)19(20,8-9-23(17)2)11-15(24)22-18(21)26/h5-6,10,17,27H,4,7-9,11H2,1-3H3,(H3,21,22,24,26)
InChIKeyDXVNTSYCTOEZGT-UHFFFAOYSA-N
MW389.45 g/mol
LogP0.95
Rot. Bonds5

About N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide

N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide (PubChem CID 135191362) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide
PubChem CID135191362
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide
SMILESCCCC1(O)C2C(=O)c3ccc(OC)cc3C1(CC(=O)NC(N)=O)CCN2C
InChIInChI=1S/C20H27N3O5/c1-4-7-20(27)17-16(25)13-6-5-12(28-3)10-14(13)19(20,8-9-23(17)2)11-15(24)22-18(21)26/h5-6,10,17,27H,4,7-9,11H2,1-3H3,(H3,21,22,24,26)
InChIKeyDXVNTSYCTOEZGT-UHFFFAOYSA-N
XLogP0.95
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 144875261
N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane
CID 144643792
1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide
CID 172861963
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CID 82624628
1-ethyl-5a-hydroxy-9a-(5-methoxy-2-methylphenyl)-6,7-dimethyl-2-oxo-6,8,9,10-tetrahydro-5H-pyrido[3,4-g]quinoline-3-carboxylic acid
CID 144978545
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
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(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide (CID 135191362) is N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide is CCCC1(O)C2C(=O)c3ccc(OC)cc3C1(CC(=O)NC(N)=O)CCN2C.
What is the InChIKey of N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide?
The InChIKey is DXVNTSYCTOEZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-4-7-20(27)17-16(25)13-6-5-12(28-3)10-14(13)19(20,8-9-23(17)2)11-15(24)22-18(21)26/h5-6,10,17,27H,4,7-9,11H2,1-3H3,(H3,21,22,24,26).
What are the key properties of N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide?
N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide has a molecular weight of 389.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide is sourced from PubChem (CID 135191362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).