N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide

C27H28N4O — CID 175455610

IUPACN-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CNCCCNC(=O)c3cc4ccccc4[nH]3)ccc21
InChIInChI=1S/C27H28N4O/c1-2-31-25-11-6-4-9-21(25)22-16-19(12-13-26(22)31)18-28-14-7-15-29-27(32)24-17-20-8-3-5-10-23(20)30-24/h3-6,8-13,16-17,28,30H,2,7,14-15,18H2,1H3,(H,29,32)
InChIKeyVEMXEVBZSOAWLT-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.21
Rot. Bonds8

About N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide

N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide (PubChem CID 175455610) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide
PubChem CID175455610
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CNCCCNC(=O)c3cc4ccccc4[nH]3)ccc21
InChIInChI=1S/C27H28N4O/c1-2-31-25-11-6-4-9-21(25)22-16-19(12-13-26(22)31)18-28-14-7-15-29-27(32)24-17-20-8-3-5-10-23(20)30-24/h3-6,8-13,16-17,28,30H,2,7,14-15,18H2,1H3,(H,29,32)
InChIKeyVEMXEVBZSOAWLT-UHFFFAOYSA-N
XLogP5.21
TPSA61.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N'-(9-ethylcarbazol-3-yl)-N-[[3-[[3-[(9-ethylcarbazol-3-yl)amino]propylamino]methyl]phenyl]methyl]propane-1,3-diamine;oxalic acid
CID 170909065
N',N'-dibutyl-N-[(9-ethylcarbazol-3-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214739
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 50844690
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 95179151
N-[[3,5-bis[[3-[(9-ethylcarbazol-3-yl)amino]propylamino]methyl]phenyl]methyl]-N'-(9-ethylcarbazol-3-yl)propane-1,3-diamine
CID 10373569
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298

Frequently Asked Questions

What is the IUPAC name of N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide (CID 175455610) is N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide is CCn1c2ccccc2c2cc(CNCCCNC(=O)c3cc4ccccc4[nH]3)ccc21.
What is the InChIKey of N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide?
The InChIKey is VEMXEVBZSOAWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-2-31-25-11-6-4-9-21(25)22-16-19(12-13-26(22)31)18-28-14-7-15-29-27(32)24-17-20-8-3-5-10-23(20)30-24/h3-6,8-13,16-17,28,30H,2,7,14-15,18H2,1H3,(H,29,32).
What are the key properties of N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide?
N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 5.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(9-ethylcarbazol-3-yl)methylamino]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 175455610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).