4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide

C23H29N3O2 — CID 10293116

IUPAC4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide
SMILESCOc1ccc2[nH]c(C)c(CCN(Cc3ccccc3)C(=O)CCCN)c2c1
InChIInChI=1S/C23H29N3O2/c1-17-20(21-15-19(28-2)10-11-22(21)25-17)12-14-26(23(27)9-6-13-24)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,25H,6,9,12-14,16,24H2,1-2H3
InChIKeyNOSKRLZOYYAOTQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.80
Rot. Bonds9

About 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide

4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide (PubChem CID 10293116) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide
PubChem CID10293116
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide
SMILESCOc1ccc2[nH]c(C)c(CCN(Cc3ccccc3)C(=O)CCCN)c2c1
InChIInChI=1S/C23H29N3O2/c1-17-20(21-15-19(28-2)10-11-22(21)25-17)12-14-26(23(27)9-6-13-24)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,25H,6,9,12-14,16,24H2,1-2H3
InChIKeyNOSKRLZOYYAOTQ-UHFFFAOYSA-N
XLogP3.80
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine;hydrochloride
CID 21313373
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea
CID 2158125
1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-(pyridin-4-ylmethyl)thiourea
CID 2158115
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 4135694
2,3,4-trihydroxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 10187022
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 4612091
N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
CID 42695765
3-(2,5-dimethoxyphenyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)thiourea
CID 2158080

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide (CID 10293116) is 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide is COc1ccc2[nH]c(C)c(CCN(Cc3ccccc3)C(=O)CCCN)c2c1.
What is the InChIKey of 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide?
The InChIKey is NOSKRLZOYYAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-20(21-15-19(28-2)10-11-22(21)25-17)12-14-26(23(27)9-6-13-24)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,25H,6,9,12-14,16,24H2,1-2H3.
What are the key properties of 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide?
4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide has a molecular weight of 379.50 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]butanamide is sourced from PubChem (CID 10293116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).