N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide

C22H24N2O — CID 39335402

IUPACN-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1
InChIInChI=1S/C22H24N2O/c25-22(8-4-7-17-5-2-1-3-6-17)24(20-11-12-20)16-18-9-10-19-13-14-23-21(19)15-18/h1-3,5-6,9-10,13-15,20,23H,4,7-8,11-12,16H2
InChIKeySURJDRYVGNGQBM-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.68
Rot. Bonds7

About N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide

N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide (PubChem CID 39335402) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide
PubChem CID39335402
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1
InChIInChI=1S/C22H24N2O/c25-22(8-4-7-17-5-2-1-3-6-17)24(20-11-12-20)16-18-9-10-19-13-14-23-21(19)15-18/h1-3,5-6,9-10,13-15,20,23H,4,7-8,11-12,16H2
InChIKeySURJDRYVGNGQBM-UHFFFAOYSA-N
XLogP4.68
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
CID 39378124
N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide
CID 39341773
3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
CID 39313919
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
3-(1H-indol-6-yl)propanoic acid
CID 23178857
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70784252
N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
CID 66183611
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide (CID 39335402) is N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide?
The InChIKey is SURJDRYVGNGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-22(8-4-7-17-5-2-1-3-6-17)24(20-11-12-20)16-18-9-10-19-13-14-23-21(19)15-18/h1-3,5-6,9-10,13-15,20,23H,4,7-8,11-12,16H2.
What are the key properties of N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide?
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide has a molecular weight of 332.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide is sourced from PubChem (CID 39335402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).