(2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide

C19H21N3O3 — CID 54451603

IUPAC(2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide
SMILESC[C@H](N)C(=O)NC(=O)CN(C)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13(20)19(25)21-17(23)12-22(2)16-11-7-6-10-15(16)18(24)14-8-4-3-5-9-14/h3-11,13H,12,20H2,1-2H3,(H,21,23,25)/t13-/m0/s1
InChIKeyWVJAUBAOPAOSQD-ZDUSSCGKSA-N
MW339.40 g/mol
LogP1.34
Rot. Bonds6

About (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide

(2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide (PubChem CID 54451603) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide
PubChem CID54451603
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide
SMILESC[C@H](N)C(=O)NC(=O)CN(C)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13(20)19(25)21-17(23)12-22(2)16-11-7-6-10-15(16)18(24)14-8-4-3-5-9-14/h3-11,13H,12,20H2,1-2H3,(H,21,23,25)/t13-/m0/s1
InChIKeyWVJAUBAOPAOSQD-ZDUSSCGKSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-4-methylpentanamide
CID 54068731
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-3-methylbutanamide;oxalic acid
CID 90475753
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-3-phenylpropanamide
CID 3042184
2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide
CID 70561655
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-5-(diaminomethylideneamino)pentanamide
CID 70559434
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 55037894
N-(2-benzoylphenyl)-N-methylmethanesulfonamide
CID 11130003
2-amino-N-[2-(2-benzoyl-4-chloroanilino)acetyl]propanamide
CID 21152776
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
2-[2-(4-fluorobenzoyl)-N-propan-2-ylanilino]-5-oxopent-2-enoic acid
CID 91369488
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
CID 175307989

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide (CID 54451603) is (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide is C[C@H](N)C(=O)NC(=O)CN(C)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide?
The InChIKey is WVJAUBAOPAOSQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(20)19(25)21-17(23)12-22(2)16-11-7-6-10-15(16)18(24)14-8-4-3-5-9-14/h3-11,13H,12,20H2,1-2H3,(H,21,23,25)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide?
(2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-benzoyl-N-methylanilino)acetyl]propanamide is sourced from PubChem (CID 54451603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).