N-(4-acetamido-3-methylphenyl)-3-aminopropanamide

C12H17N3O2 — CID 43698824

IUPACN-(4-acetamido-3-methylphenyl)-3-aminopropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN)cc1C
InChIInChI=1S/C12H17N3O2/c1-8-7-10(15-12(17)5-6-13)3-4-11(8)14-9(2)16/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyPEWUWWFXBXMSKW-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-3-aminopropanamide

N-(4-acetamido-3-methylphenyl)-3-aminopropanamide (PubChem CID 43698824) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-3-aminopropanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-3-aminopropanamide
PubChem CID43698824
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(4-acetamido-3-methylphenyl)-3-aminopropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN)cc1C
InChIInChI=1S/C12H17N3O2/c1-8-7-10(15-12(17)5-6-13)3-4-11(8)14-9(2)16/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyPEWUWWFXBXMSKW-UHFFFAOYSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034593
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N-(4-acetamido-3-methylphenyl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
CID 27378887
N-(4-acetamido-3-methylphenyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 43052309
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-3-aminopropanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-3-aminopropanamide (CID 43698824) is N-(4-acetamido-3-methylphenyl)-3-aminopropanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-3-aminopropanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-3-aminopropanamide is CC(=O)Nc1ccc(NC(=O)CCN)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-3-aminopropanamide?
The InChIKey is PEWUWWFXBXMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-10(15-12(17)5-6-13)3-4-11(8)14-9(2)16/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-acetamido-3-methylphenyl)-3-aminopropanamide?
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide has a molecular weight of 235.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-3-aminopropanamide is sourced from PubChem (CID 43698824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).