N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide

C17H24N2O2 — CID 24666491

IUPACN-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H24N2O2/c1-13(2)15(20)18-11-12-19-16(21)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPWYUMPBHELSNPL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide

N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 24666491) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID24666491
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H24N2O2/c1-13(2)15(20)18-11-12-19-16(21)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPWYUMPBHELSNPL-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
N-[[2-(methoxymethyl)phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 33068095
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide
CID 111520147
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide (CID 24666491) is N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide is CC(C)C(=O)NCCNC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is PWYUMPBHELSNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)15(20)18-11-12-19-16(21)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 24666491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).