2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide

C17H26N4O2 — CID 166369486

IUPAC2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide
SMILESNC(=O)CC1CC(NC(=O)NCCC(N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N4O2/c18-14(8-12-4-2-1-3-5-12)6-7-20-17(23)21-15-9-13(10-15)11-16(19)22/h1-5,13-15H,6-11,18H2,(H2,19,22)(H2,20,21,23)
InChIKeyLSHYATSPUZAQNN-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.90
Rot. Bonds8

About 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide

2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide (PubChem CID 166369486) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide
PubChem CID166369486
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide
SMILESNC(=O)CC1CC(NC(=O)NCCC(N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N4O2/c18-14(8-12-4-2-1-3-5-12)6-7-20-17(23)21-15-9-13(10-15)11-16(19)22/h1-5,13-15H,6-11,18H2,(H2,19,22)(H2,20,21,23)
InChIKeyLSHYATSPUZAQNN-UHFFFAOYSA-N
XLogP0.90
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)cyclobutyl]-3-(3-amino-4-phenylbutyl)urea
CID 166259436
(3-amino-4-phenylbutyl)carbamic acid
CID 68670324
(3S)-1-N-cyclopropyl-4-phenylbutane-1,3-diamine
CID 129054273
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
CID 44588252
5-amino-6-phenylhexan-2-one
CID 90094782
(2-amino-3-phenylpropyl)urea
CID 137464572

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide?
The IUPAC name of 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide (CID 166369486) is 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide.
What is the SMILES notation for 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide?
The canonical SMILES for 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide is NC(=O)CC1CC(NC(=O)NCCC(N)Cc2ccccc2)C1.
What is the InChIKey of 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide?
The InChIKey is LSHYATSPUZAQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c18-14(8-12-4-2-1-3-5-12)6-7-20-17(23)21-15-9-13(10-15)11-16(19)22/h1-5,13-15H,6-11,18H2,(H2,19,22)(H2,20,21,23).
What are the key properties of 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide?
2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.90, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-amino-4-phenylbutyl)carbamoylamino]cyclobutyl]acetamide is sourced from PubChem (CID 166369486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).