1-[3-(3-aminopropyl)phenyl]-3-benzylurea

C17H21N3O — CID 107654561

IUPAC1-[3-(3-aminopropyl)phenyl]-3-benzylurea
SMILESNCCCc1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H21N3O/c18-11-5-9-14-8-4-10-16(12-14)20-17(21)19-13-15-6-2-1-3-7-15/h1-4,6-8,10,12H,5,9,11,13,18H2,(H2,19,20,21)
InChIKeyFQLVQUWGCJQWAF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.90
Rot. Bonds6

About 1-[3-(3-aminopropyl)phenyl]-3-benzylurea

1-[3-(3-aminopropyl)phenyl]-3-benzylurea (PubChem CID 107654561) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[3-(3-aminopropyl)phenyl]-3-benzylurea.

Molecular Properties

Compound Name1-[3-(3-aminopropyl)phenyl]-3-benzylurea
PubChem CID107654561
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[3-(3-aminopropyl)phenyl]-3-benzylurea
SMILESNCCCc1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H21N3O/c18-11-5-9-14-8-4-10-16(12-14)20-17(21)19-13-15-6-2-1-3-7-15/h1-4,6-8,10,12H,5,9,11,13,18H2,(H2,19,20,21)
InChIKeyFQLVQUWGCJQWAF-UHFFFAOYSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
1-[3-(3-aminopropyl)phenyl]-3-butylurea
CID 113397957
1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
CID 66941489
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
CID 122078849
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
CID 151709013
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropyl)phenyl]-3-benzylurea?
The IUPAC name of 1-[3-(3-aminopropyl)phenyl]-3-benzylurea (CID 107654561) is 1-[3-(3-aminopropyl)phenyl]-3-benzylurea.
What is the SMILES notation for 1-[3-(3-aminopropyl)phenyl]-3-benzylurea?
The canonical SMILES for 1-[3-(3-aminopropyl)phenyl]-3-benzylurea is NCCCc1cccc(NC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-[3-(3-aminopropyl)phenyl]-3-benzylurea?
The InChIKey is FQLVQUWGCJQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-5-9-14-8-4-10-16(12-14)20-17(21)19-13-15-6-2-1-3-7-15/h1-4,6-8,10,12H,5,9,11,13,18H2,(H2,19,20,21).
What are the key properties of 1-[3-(3-aminopropyl)phenyl]-3-benzylurea?
1-[3-(3-aminopropyl)phenyl]-3-benzylurea has a molecular weight of 283.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropyl)phenyl]-3-benzylurea is sourced from PubChem (CID 107654561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).