2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide

C13H16N4O2 — CID 62637310

IUPAC2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C13H16N4O2/c1-9(14-2)12(18)16-10-3-5-11(6-4-10)17-8-7-15-13(17)19/h3-9,14H,1-2H3,(H,15,19)(H,16,18)
InChIKeyIIJVKXZMNCHJAM-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.71
Rot. Bonds4

About 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide

2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (PubChem CID 62637310) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
PubChem CID62637310
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C13H16N4O2/c1-9(14-2)12(18)16-10-3-5-11(6-4-10)17-8-7-15-13(17)19/h3-9,14H,1-2H3,(H,15,19)(H,16,18)
InChIKeyIIJVKXZMNCHJAM-UHFFFAOYSA-N
XLogP0.71
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
CID 76888014
(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
CID 61174783
2-methoxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 47265723
4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
CID 79204687
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 94824353
3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one
CID 60934772
2-amino-2-cyclopropyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 60928039
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one
CID 62536822
2-(cyclopropylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 60928032
3-[4-[2-(tert-butylamino)ethylamino]phenyl]-1H-imidazol-2-one
CID 107445375
2-chloro-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]furan-3-carboxamide
CID 106685541

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (CID 62637310) is 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide is CNC(C)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
The InChIKey is IIJVKXZMNCHJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(14-2)12(18)16-10-3-5-11(6-4-10)17-8-7-15-13(17)19/h3-9,14H,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide?
2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 62637310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).