N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide

C19H21N3O2 — CID 120666920

IUPACN-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-12-2-4-13(5-3-12)17(20)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14/h2-5,8-11,14,17H,6-7,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyOYPBNINYQBEMTN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.98
Rot. Bonds5

About N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 120666920) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID120666920
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-12-2-4-13(5-3-12)17(20)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14/h2-5,8-11,14,17H,6-7,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyOYPBNINYQBEMTN-UHFFFAOYSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
CID 82359770
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
2-amino-2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120667005
2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667664
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 120666920) is N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide is Cc1ccc(C(N)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is OYPBNINYQBEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-2-4-13(5-3-12)17(20)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14/h2-5,8-11,14,17H,6-7,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 120666920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).