1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea

C16H26N4O — CID 166259436

IUPAC1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea
SMILESNCC1CC(NC(=O)NCCC(N)Cc2ccccc2)C1
InChIInChI=1S/C16H26N4O/c17-11-13-9-15(10-13)20-16(21)19-7-6-14(18)8-12-4-2-1-3-5-12/h1-5,13-15H,6-11,17-18H2,(H2,19,20,21)
InChIKeyGKHUVTQPPQTIJA-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.98
Rot. Bonds7

About 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea

1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea (PubChem CID 166259436) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea
PubChem CID166259436
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea
SMILESNCC1CC(NC(=O)NCCC(N)Cc2ccccc2)C1
InChIInChI=1S/C16H26N4O/c17-11-13-9-15(10-13)20-16(21)19-7-6-14(18)8-12-4-2-1-3-5-12/h1-5,13-15H,6-11,17-18H2,(H2,19,20,21)
InChIKeyGKHUVTQPPQTIJA-UHFFFAOYSA-N
XLogP0.98
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide
CID 166369486
(3-amino-4-phenylbutyl)carbamic acid
CID 68670324
(3S)-1-N-cyclopropyl-4-phenylbutane-1,3-diamine
CID 129054273
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
5-amino-6-phenylhexan-2-one
CID 90094782

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea?
The IUPAC name of 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea (CID 166259436) is 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea is NCC1CC(NC(=O)NCCC(N)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea?
The InChIKey is GKHUVTQPPQTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-11-13-9-15(10-13)20-16(21)19-7-6-14(18)8-12-4-2-1-3-5-12/h1-5,13-15H,6-11,17-18H2,(H2,19,20,21).
What are the key properties of 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea?
1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea has a molecular weight of 290.41 g/mol, XLogP of 0.98, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea is sourced from PubChem (CID 166259436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).