2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide

C18H22N4O2 — CID 123330298

IUPAC2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)(NC(=O)NCc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C18H22N4O2/c1-18(16(20)23,11-13-5-3-2-4-6-13)22-17(24)21-12-14-7-9-15(19)10-8-14/h2-10H,11-12,19H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyBCHFMKTZRTYEIU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.55
Rot. Bonds6

About 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide

2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide (PubChem CID 123330298) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide
PubChem CID123330298
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)(NC(=O)NCc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C18H22N4O2/c1-18(16(20)23,11-13-5-3-2-4-6-13)22-17(24)21-12-14-7-9-15(19)10-8-14/h2-10H,11-12,19H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyBCHFMKTZRTYEIU-UHFFFAOYSA-N
XLogP1.55
TPSA110.24 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 ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
CID 131211782
2-anilino-2-methyl-3-phenylpropanamide
CID 55151227
(2R)-2-formamido-2-methyl-3-phenylpropanamide
CID 149178833
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-(3-amino-3-imino-2,2-dimethylpropyl)-3-benzylurea
CID 107654653
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
1-(4-amino-2-hydroxyphenyl)-3-benzylurea
CID 15553207
2-[(4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16788213
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-benzyl-3-methylurea;ethane
CID 90763782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide?
The IUPAC name of 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide (CID 123330298) is 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide is CC(Cc1ccccc1)(NC(=O)NCc1ccc(N)cc1)C(N)=O.
What is the InChIKey of 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide?
The InChIKey is BCHFMKTZRTYEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(16(20)23,11-13-5-3-2-4-6-13)22-17(24)21-12-14-7-9-15(19)10-8-14/h2-10H,11-12,19H2,1H3,(H2,20,23)(H2,21,22,24).
What are the key properties of 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide?
2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 123330298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).