(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide

C20H24N6O — CID 52539253

IUPAC(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide
SMILESCCCN(Cc1nnnn1-c1ccccc1)[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C20H24N6O/c1-3-14-25(16(2)20(27)21-17-10-6-4-7-11-17)15-19-22-23-24-26(19)18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3,(H,21,27)/t16-/m1/s1
InChIKeyUAFQZJGEQWOOIW-MRXNPFEDSA-N
MW364.45 g/mol
LogP2.90
Rot. Bonds8

About (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide

(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide (PubChem CID 52539253) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide
PubChem CID52539253
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide
SMILESCCCN(Cc1nnnn1-c1ccccc1)[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C20H24N6O/c1-3-14-25(16(2)20(27)21-17-10-6-4-7-11-17)15-19-22-23-24-26(19)18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3,(H,21,27)/t16-/m1/s1
InChIKeyUAFQZJGEQWOOIW-MRXNPFEDSA-N
XLogP2.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide
CID 42896099
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide
CID 60613531
N-(4-ethylphenyl)-2-[3-(1-phenyltetrazol-5-yl)propylsulfonyl]propanamide
CID 47049486
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789

Frequently Asked Questions

What is the IUPAC name of (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide?
The IUPAC name of (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide (CID 52539253) is (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide.
What is the SMILES notation for (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide?
The canonical SMILES for (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide is CCCN(Cc1nnnn1-c1ccccc1)[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide?
The InChIKey is UAFQZJGEQWOOIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N6O/c1-3-14-25(16(2)20(27)21-17-10-6-4-7-11-17)15-19-22-23-24-26(19)18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3,(H,21,27)/t16-/m1/s1.
What are the key properties of (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide?
(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide is sourced from PubChem (CID 52539253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).