1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea

C18H22N4O2 — CID 134584176

IUPAC1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
SMILESCCCN(Cc1ccc(C(=O)NN)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-2-12-22(18(24)20-16-6-4-3-5-7-16)13-14-8-10-15(11-9-14)17(23)21-19/h3-11H,2,12-13,19H2,1H3,(H,20,24)(H,21,23)
InChIKeyFQLVARMDCXNFJG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.73
Rot. Bonds6

About 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea

1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea (PubChem CID 134584176) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea.

Molecular Properties

Compound Name1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
PubChem CID134584176
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
SMILESCCCN(Cc1ccc(C(=O)NN)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-2-12-22(18(24)20-16-6-4-3-5-7-16)13-14-8-10-15(11-9-14)17(23)21-19/h3-11H,2,12-13,19H2,1H3,(H,20,24)(H,21,23)
InChIKeyFQLVARMDCXNFJG-UHFFFAOYSA-N
XLogP2.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-phenyl-1-propylurea
CID 78786424
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide
CID 123410947
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 17196210
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
1-butyl-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68517977
O-[4-[(4-methoxyphenyl)carbamoyl]phenyl] N-benzyl-N-propylcarbamothioate
CID 3100434

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea?
The IUPAC name of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea (CID 134584176) is 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea.
What is the SMILES notation for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea?
The canonical SMILES for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea is CCCN(Cc1ccc(C(=O)NN)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea?
The InChIKey is FQLVARMDCXNFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-12-22(18(24)20-16-6-4-3-5-7-16)13-14-8-10-15(11-9-14)17(23)21-19/h3-11H,2,12-13,19H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea?
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea has a molecular weight of 326.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea is sourced from PubChem (CID 134584176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).