N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide

C27H31N3O2 — CID 42772544

IUPACN-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)C2CC2)C2CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-19-6-8-20(9-7-19)17-29(15-14-22-16-28-25-5-3-2-4-24(22)25)26(31)18-30(23-12-13-23)27(32)21-10-11-21/h2-9,16,21,23,28H,10-15,17-18H2,1H3
InChIKeyREFNKEQKHCLZRH-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.45
Rot. Bonds9

About N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 42772544) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID42772544
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)C2CC2)C2CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-19-6-8-20(9-7-19)17-29(15-14-22-16-28-25-5-3-2-4-24(22)25)26(31)18-30(23-12-13-23)27(32)21-10-11-21/h2-9,16,21,23,28H,10-15,17-18H2,1H3
InChIKeyREFNKEQKHCLZRH-UHFFFAOYSA-N
XLogP4.45
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide
CID 5046355
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 4184088
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 42772550
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 4656430
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42772538
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 4601556
N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4131063
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42772532
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 4086438
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3264309
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42770552

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 42772544) is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide is Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)C2CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is REFNKEQKHCLZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-19-6-8-20(9-7-19)17-29(15-14-22-16-28-25-5-3-2-4-24(22)25)26(31)18-30(23-12-13-23)27(32)21-10-11-21/h2-9,16,21,23,28H,10-15,17-18H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 42772544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).