N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide

C18H20N4O — CID 95791798

IUPACN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
SMILESC[C@@H](Cn1nnc2ccccc21)NC(=O)CCc1ccccc1
InChIInChI=1S/C18H20N4O/c1-14(13-22-17-10-6-5-9-16(17)20-21-22)19-18(23)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyPGYUKMCHFCOORD-AWEZNQCLSA-N
MW308.38 g/mol
LogP2.57
Rot. Bonds6

About N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide (PubChem CID 95791798) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
PubChem CID95791798
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
SMILESC[C@@H](Cn1nnc2ccccc21)NC(=O)CCc1ccccc1
InChIInChI=1S/C18H20N4O/c1-14(13-22-17-10-6-5-9-16(17)20-21-22)19-18(23)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyPGYUKMCHFCOORD-AWEZNQCLSA-N
XLogP2.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
CID 16671536
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
CID 16671578
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide
CID 16671688
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16671741
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide
CID 5071113
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8627449
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide (CID 95791798) is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide is C[C@@H](Cn1nnc2ccccc21)NC(=O)CCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is PGYUKMCHFCOORD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14(13-22-17-10-6-5-9-16(17)20-21-22)19-18(23)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide?
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 95791798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).