N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide

C20H23N3O2 — CID 119047540

IUPACN-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-19(24)22-17-9-11-18(12-10-17)23-20(25)21-13-14-3-5-15(6-4-14)16-7-8-16/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyGPYZHJNWBUPBGM-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.23
Rot. Bonds6

About N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide

N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide (PubChem CID 119047540) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
PubChem CID119047540
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-19(24)22-17-9-11-18(12-10-17)23-20(25)21-13-14-3-5-15(6-4-14)16-7-8-16/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyGPYZHJNWBUPBGM-UHFFFAOYSA-N
XLogP4.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
CID 119047504
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
1-[(4-cyclopropylphenyl)methyl]-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 119047537
1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
CID 119048802
N-(4-cyclopropylphenyl)heptanamide
CID 155735657
1-[4-[(3S)-1,1-dioxothiolan-3-yl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706420
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
1-[(4-cyclohexylphenyl)methyl]-3-methylurea
CID 115169108
N-[4-(4-ethylcyclohexyl)phenyl]butanamide
CID 134294175
2-methoxy-N-[4-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55697500
2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358
1-[(4-cyclopropylphenyl)methyl]-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99829374

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide (CID 119047540) is N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide?
The InChIKey is GPYZHJNWBUPBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-19(24)22-17-9-11-18(12-10-17)23-20(25)21-13-14-3-5-15(6-4-14)16-7-8-16/h3-6,9-12,16H,2,7-8,13H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide?
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 119047540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).