(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide

C20H25N3O2 — CID 9303942

IUPAC(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15(24)22-19(17-7-5-4-6-8-17)13-20(25)21-14-16-9-11-18(12-10-16)23(2)3/h4-12,19H,13-14H2,1-3H3,(H,21,25)(H,22,24)/t19-/m0/s1
InChIKeyWNBYEJVKILQSNR-IBGZPJMESA-N
MW339.44 g/mol
LogP2.64
Rot. Bonds7

About (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide

(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide (PubChem CID 9303942) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
PubChem CID9303942
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15(24)22-19(17-7-5-4-6-8-17)13-20(25)21-14-16-9-11-18(12-10-16)23(2)3/h4-12,19H,13-14H2,1-3H3,(H,21,25)(H,22,24)/t19-/m0/s1
InChIKeyWNBYEJVKILQSNR-IBGZPJMESA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577
3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466203
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
CID 171785861
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,3-diphenylpropanamide
CID 9194490
3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide (CID 9303942) is (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is WNBYEJVKILQSNR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(24)22-19(17-7-5-4-6-8-17)13-20(25)21-14-16-9-11-18(12-10-16)23(2)3/h4-12,19H,13-14H2,1-3H3,(H,21,25)(H,22,24)/t19-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide?
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 9303942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).