2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide

C14H16N4O — CID 66140429

IUPAC2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide
SMILESNC(=O)C(Nc1ccccc1)c1cncn1C1CC1
InChIInChI=1S/C14H16N4O/c15-14(19)13(17-10-4-2-1-3-5-10)12-8-16-9-18(12)11-6-7-11/h1-5,8-9,11,13,17H,6-7H2,(H2,15,19)
InChIKeyHOHTXTNHVDACBW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.86
Rot. Bonds5

About 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide

2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide (PubChem CID 66140429) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide
PubChem CID66140429
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide
SMILESNC(=O)C(Nc1ccccc1)c1cncn1C1CC1
InChIInChI=1S/C14H16N4O/c15-14(19)13(17-10-4-2-1-3-5-10)12-8-16-9-18(12)11-6-7-11/h1-5,8-9,11,13,17H,6-7H2,(H2,15,19)
InChIKeyHOHTXTNHVDACBW-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid
CID 66140045
2-(3-bromoanilino)-2-(3-cyclopropylimidazol-4-yl)acetic acid
CID 66139845
methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate
CID 66140237
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
CID 79026971
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482
2-(3-bromoanilino)-2-(3-cyclopropylimidazol-4-yl)acetonitrile
CID 66142443
2-anilino-2-phenylacetamide;ethane
CID 142824395
2-(4-chloroanilino)-2-(3-propylimidazol-4-yl)acetamide
CID 66130816
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
CID 66135745
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate
CID 66140830

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide?
The IUPAC name of 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide (CID 66140429) is 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide?
The canonical SMILES for 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide is NC(=O)C(Nc1ccccc1)c1cncn1C1CC1.
What is the InChIKey of 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide?
The InChIKey is HOHTXTNHVDACBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14(19)13(17-10-4-2-1-3-5-10)12-8-16-9-18(12)11-6-7-11/h1-5,8-9,11,13,17H,6-7H2,(H2,15,19).
What are the key properties of 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide?
2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3-cyclopropylimidazol-4-yl)acetamide is sourced from PubChem (CID 66140429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).