1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea

C19H24N4O2 — CID 177002479

IUPAC1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(Cc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)12-21-19(25)23-17-9-5-15(6-10-17)11-14-3-7-16(8-4-14)22-18(20)24/h3-10,13H,11-12H2,1-2H3,(H3,20,22,24)(H2,21,23,25)
InChIKeyKUPDEJFLMKUFHA-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.55
Rot. Bonds6

About 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea

1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea (PubChem CID 177002479) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
PubChem CID177002479
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(Cc2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)12-21-19(25)23-17-9-5-15(6-10-17)11-14-3-7-16(8-4-14)22-18(20)24/h3-10,13H,11-12H2,1-2H3,(H3,20,22,24)(H2,21,23,25)
InChIKeyKUPDEJFLMKUFHA-UHFFFAOYSA-N
XLogP3.55
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea 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

2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2527547
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119701163
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea (CID 177002479) is 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccc(Cc2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea?
The InChIKey is KUPDEJFLMKUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)12-21-19(25)23-17-9-5-15(6-10-17)11-14-3-7-16(8-4-14)22-18(20)24/h3-10,13H,11-12H2,1-2H3,(H3,20,22,24)(H2,21,23,25).
What are the key properties of 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea?
1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 177002479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).