N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C25H27N3O2 — CID 46475540

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(NC(=O)c1cccc2c3c([nH]c12)CCCC3)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-15(16-11-13-18(14-12-16)27-24(29)17-9-10-17)26-25(30)21-7-4-6-20-19-5-2-3-8-22(19)28-23(20)21/h4,6-7,11-15,17,28H,2-3,5,8-10H2,1H3,(H,26,30)(H,27,29)
InChIKeyYHILBWCOPHYNHD-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.89
Rot. Bonds5

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 46475540) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID46475540
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(NC(=O)c1cccc2c3c([nH]c12)CCCC3)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-15(16-11-13-18(14-12-16)27-24(29)17-9-10-17)26-25(30)21-7-4-6-20-19-5-2-3-8-22(19)28-23(20)21/h4,6-7,11-15,17,28H,2-3,5,8-10H2,1H3,(H,26,30)(H,27,29)
InChIKeyYHILBWCOPHYNHD-UHFFFAOYSA-N
XLogP4.89
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
CID 23498614
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 43058083

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 46475540) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC(NC(=O)c1cccc2c3c([nH]c12)CCCC3)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is YHILBWCOPHYNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-15(16-11-13-18(14-12-16)27-24(29)17-9-10-17)26-25(30)21-7-4-6-20-19-5-2-3-8-22(19)28-23(20)21/h4,6-7,11-15,17,28H,2-3,5,8-10H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 46475540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).