N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide

C29H32N2O2 — CID 42697198

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide
SMILESCC(C)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H32N2O2/c1-22(2)17-29(32)31(16-15-25-19-30-28-14-7-6-13-27(25)28)20-24-11-8-12-26(18-24)33-21-23-9-4-3-5-10-23/h3-14,18-19,22,30H,15-17,20-21H2,1-2H3
InChIKeyIKNHWIOXLJFMSR-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.36
Rot. Bonds10

About N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide (PubChem CID 42697198) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide
PubChem CID42697198
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide
SMILESCC(C)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H32N2O2/c1-22(2)17-29(32)31(16-15-25-19-30-28-14-7-6-13-27(25)28)20-24-11-8-12-26(18-24)33-21-23-9-4-3-5-10-23/h3-14,18-19,22,30H,15-17,20-21H2,1-2H3
InChIKeyIKNHWIOXLJFMSR-UHFFFAOYSA-N
XLogP6.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 42772049
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 24717883
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772039
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698598
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N-butyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 4250882
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3546826
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
2-[benzyl-(2-phenoxyacetyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42777123
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 5055164
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 4196541
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3487340

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide (CID 42697198) is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide is CC(C)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide?
The InChIKey is IKNHWIOXLJFMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-22(2)17-29(32)31(16-15-25-19-30-28-14-7-6-13-27(25)28)20-24-11-8-12-26(18-24)33-21-23-9-4-3-5-10-23/h3-14,18-19,22,30H,15-17,20-21H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide has a molecular weight of 440.59 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 42697198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).