1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea

C17H21N3O — CID 62306433

IUPAC1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-2-16(14-6-4-3-5-7-14)20-17(21)19-15-10-8-13(12-18)9-11-15/h3-11,16H,2,12,18H2,1H3,(H2,19,20,21)
InChIKeyWJNYSSRCGSBUON-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.42
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea

1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea (PubChem CID 62306433) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
PubChem CID62306433
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-2-16(14-6-4-3-5-7-14)20-17(21)19-15-10-8-13(12-18)9-11-15/h3-11,16H,2,12,18H2,1H3,(H2,19,20,21)
InChIKeyWJNYSSRCGSBUON-UHFFFAOYSA-N
XLogP3.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
ethyl 3-(1-phenylpropylcarbamoylamino)benzoate
CID 3804159
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
CID 62049518
1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
CID 8933297
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111103769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea (CID 62306433) is 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea is CCC(NC(=O)Nc1ccc(CN)cc1)c1ccccc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea?
The InChIKey is WJNYSSRCGSBUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-16(14-6-4-3-5-7-14)20-17(21)19-15-10-8-13(12-18)9-11-15/h3-11,16H,2,12,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea?
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea is sourced from PubChem (CID 62306433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).