(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide

C27H35N3O2 — CID 8645004

IUPAC(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
SMILESCOc1ccc([C@@H](CN[C@H](C)C(=O)N(C)C2CCCCC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H35N3O2/c1-19(27(31)30(2)21-9-5-4-6-10-21)28-17-24(20-13-15-22(32-3)16-14-20)25-18-29-26-12-8-7-11-23(25)26/h7-8,11-16,18-19,21,24,28-29H,4-6,9-10,17H2,1-3H3/t19-,24-/m1/s1
InChIKeyANFOHJPWVWTCGQ-NTKDMRAZSA-N
MW433.60 g/mol
LogP5.08
Rot. Bonds8

About (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide

(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide (PubChem CID 8645004) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
PubChem CID8645004
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
SMILESCOc1ccc([C@@H](CN[C@H](C)C(=O)N(C)C2CCCCC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H35N3O2/c1-19(27(31)30(2)21-9-5-4-6-10-21)28-17-24(20-13-15-22(32-3)16-14-20)25-18-29-26-12-8-7-11-23(25)26/h7-8,11-16,18-19,21,24,28-29H,4-6,9-10,17H2,1-3H3/t19-,24-/m1/s1
InChIKeyANFOHJPWVWTCGQ-NTKDMRAZSA-N
XLogP5.08
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide with MolForge

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 16577880
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 8644960
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55790068
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 40988675
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
3-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681087
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 4835102

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide (CID 8645004) is (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide is COc1ccc([C@@H](CN[C@H](C)C(=O)N(C)C2CCCCC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
The InChIKey is ANFOHJPWVWTCGQ-NTKDMRAZSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-19(27(31)30(2)21-9-5-4-6-10-21)28-17-24(20-13-15-22(32-3)16-14-20)25-18-29-26-12-8-7-11-23(25)26/h7-8,11-16,18-19,21,24,28-29H,4-6,9-10,17H2,1-3H3/t19-,24-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide has a molecular weight of 433.60 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 8645004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).