(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide

C21H26N2O — CID 8005843

IUPAC(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
SMILESC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H26N2O/c1-16(21(24)23-19-14-8-9-15-19)22-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19-20,22H,8-9,14-15H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyLDULVLDZJZWRHF-INIZCTEOSA-N
MW322.45 g/mol
LogP3.81
Rot. Bonds6

About (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide

(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide (PubChem CID 8005843) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
PubChem CID8005843
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
SMILESC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H26N2O/c1-16(21(24)23-19-14-8-9-15-19)22-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19-20,22H,8-9,14-15H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyLDULVLDZJZWRHF-INIZCTEOSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide (CID 8005843) is (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide is C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide?
The InChIKey is LDULVLDZJZWRHF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(21(24)23-19-14-8-9-15-19)22-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19-20,22H,8-9,14-15H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide?
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide is sourced from PubChem (CID 8005843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).