2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide

C18H22N4O2 — CID 51078431

IUPAC2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
SMILESCC(C)NC(=O)Nc1cccc(NC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)20-18(24)22-15-10-6-9-14(11-15)21-16(17(19)23)13-7-4-3-5-8-13/h3-12,16,21H,1-2H3,(H2,19,23)(H2,20,22,24)
InChIKeyXHDHKKRFHFQDAZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.86
Rot. Bonds6

About 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide

2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide (PubChem CID 51078431) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
PubChem CID51078431
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
SMILESCC(C)NC(=O)Nc1cccc(NC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)20-18(24)22-15-10-6-9-14(11-15)21-16(17(19)23)13-7-4-3-5-8-13/h3-12,16,21H,1-2H3,(H2,19,23)(H2,20,22,24)
InChIKeyXHDHKKRFHFQDAZ-UHFFFAOYSA-N
XLogP2.86
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270
2-anilino-2-phenylacetamide;ethane
CID 142824395
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(3-acetamidoanilino)-2-phenylacetyl chloride
CID 142788297
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61006544
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide?
The IUPAC name of 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide (CID 51078431) is 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide.
What is the SMILES notation for 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide?
The canonical SMILES for 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide is CC(C)NC(=O)Nc1cccc(NC(C(N)=O)c2ccccc2)c1.
What is the InChIKey of 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide?
The InChIKey is XHDHKKRFHFQDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)20-18(24)22-15-10-6-9-14(11-15)21-16(17(19)23)13-7-4-3-5-8-13/h3-12,16,21H,1-2H3,(H2,19,23)(H2,20,22,24).
What are the key properties of 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide?
2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide is sourced from PubChem (CID 51078431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).