N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide

C21H22N2O — CID 39341773

IUPACN-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1
InChIInChI=1S/C21H22N2O/c24-21(12-9-16-5-2-1-3-6-16)23(18-10-11-18)15-17-7-4-8-20-19(17)13-14-22-20/h1-8,13-14,18,22H,9-12,15H2
InChIKeyXUCWLQPMJNDUOH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.29
Rot. Bonds6

About N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide

N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide (PubChem CID 39341773) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide
PubChem CID39341773
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1
InChIInChI=1S/C21H22N2O/c24-21(12-9-16-5-2-1-3-6-16)23(18-10-11-18)15-17-7-4-8-20-19(17)13-14-22-20/h1-8,13-14,18,22H,9-12,15H2
InChIKeyXUCWLQPMJNDUOH-UHFFFAOYSA-N
XLogP4.29
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide (CID 39341773) is N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide?
The InChIKey is XUCWLQPMJNDUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-21(12-9-16-5-2-1-3-6-16)23(18-10-11-18)15-17-7-4-8-20-19(17)13-14-22-20/h1-8,13-14,18,22H,9-12,15H2.
What are the key properties of N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide?
N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 4.29, 6 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-4-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 39341773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).