(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide

C12H17N3O2 — CID 119331740

IUPAC(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C12H17N3O2/c1-8(13)12(17)14-10-5-4-6-11(7-10)15(3)9(2)16/h4-8H,13H2,1-3H3,(H,14,17)/t8-/m1/s1
InChIKeyFSWNBUQTXINBGH-MRVPVSSYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds3

About (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide

(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide (PubChem CID 119331740) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide.

Molecular Properties

Compound Name(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
PubChem CID119331740
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C12H17N3O2/c1-8(13)12(17)14-10-5-4-6-11(7-10)15(3)9(2)16/h4-8H,13H2,1-3H3,(H,14,17)/t8-/m1/s1
InChIKeyFSWNBUQTXINBGH-MRVPVSSYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
CID 46761865
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 46761948
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methylpropyl)benzamide
CID 119047722
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
3-(2-aminopropanoylamino)benzamide
CID 61258270

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide?
The IUPAC name of (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide (CID 119331740) is (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide.
What is the SMILES notation for (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide?
The canonical SMILES for (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide is CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)N)c1.
What is the InChIKey of (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide?
The InChIKey is FSWNBUQTXINBGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(13)12(17)14-10-5-4-6-11(7-10)15(3)9(2)16/h4-8H,13H2,1-3H3,(H,14,17)/t8-/m1/s1.
What are the key properties of (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide?
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide has a molecular weight of 235.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide is sourced from PubChem (CID 119331740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).