N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide

C29H37N3O2 — CID 3434547

IUPACN-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide
SMILESCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C1CC1
InChIInChI=1S/C29H37N3O2/c1-2-3-4-8-15-28(33)32(25-16-17-25)22-29(34)31(21-23-11-6-5-7-12-23)19-18-24-20-30-27-14-10-9-13-26(24)27/h5-7,9-14,20,25,30H,2-4,8,15-19,21-22H2,1H3
InChIKeyXQPGQFNNKSYJOX-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.70
Rot. Bonds13

About N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide

N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide (PubChem CID 3434547) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide.

Molecular Properties

Compound NameN-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide
PubChem CID3434547
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC NameN-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide
SMILESCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C1CC1
InChIInChI=1S/C29H37N3O2/c1-2-3-4-8-15-28(33)32(25-16-17-25)22-29(34)31(21-23-11-6-5-7-12-23)19-18-24-20-30-27-14-10-9-13-26(24)27/h5-7,9-14,20,25,30H,2-4,8,15-19,21-22H2,1H3
InChIKeyXQPGQFNNKSYJOX-UHFFFAOYSA-N
XLogP5.70
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]hexanamide
CID 5237679
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide
CID 5046355
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3264309
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-hexylbenzamide
CID 42770597
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772104
4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4075256
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylpropanamide
CID 4114319
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42772544
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide?
The IUPAC name of N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide (CID 3434547) is N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide.
What is the SMILES notation for N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide?
The canonical SMILES for N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide is CCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C1CC1.
What is the InChIKey of N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide?
The InChIKey is XQPGQFNNKSYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-2-3-4-8-15-28(33)32(25-16-17-25)22-29(34)31(21-23-11-6-5-7-12-23)19-18-24-20-30-27-14-10-9-13-26(24)27/h5-7,9-14,20,25,30H,2-4,8,15-19,21-22H2,1H3.
What are the key properties of N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide?
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide has a molecular weight of 459.63 g/mol, XLogP of 5.70, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide is sourced from PubChem (CID 3434547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).