N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide

C17H26N2O2 — CID 97226445

IUPACN-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide
SMILESCC(C)[C@@H](CNC(=O)C1=CCCC1)NC(=O)C1=CCCC1
InChIInChI=1S/C17H26N2O2/c1-12(2)15(19-17(21)14-9-5-6-10-14)11-18-16(20)13-7-3-4-8-13/h7,9,12,15H,3-6,8,10-11H2,1-2H3,(H,18,20)(H,19,21)/t15-/m1/s1
InChIKeyLUYQLIDHRSQFHD-OAHLLOKOSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds6

About N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide

N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide (PubChem CID 97226445) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide
PubChem CID97226445
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide
SMILESCC(C)[C@@H](CNC(=O)C1=CCCC1)NC(=O)C1=CCCC1
InChIInChI=1S/C17H26N2O2/c1-12(2)15(19-17(21)14-9-5-6-10-14)11-18-16(20)13-7-3-4-8-13/h7,9,12,15H,3-6,8,10-11H2,1-2H3,(H,18,20)(H,19,21)/t15-/m1/s1
InChIKeyLUYQLIDHRSQFHD-OAHLLOKOSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
CID 130668502
N-propan-2-ylcyclobutene-1-carboxamide
CID 126994401
N-pent-1-yn-3-ylcyclopentene-1-carboxamide
CID 130920530
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide
CID 134339064
2-(cyclopentene-1-carbonyloxy)propyl cyclopentene-1-carboxylate
CID 150652864
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
CID 102343479
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide
CID 129326932
methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate
CID 24802882

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide (CID 97226445) is N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide is CC(C)[C@@H](CNC(=O)C1=CCCC1)NC(=O)C1=CCCC1.
What is the InChIKey of N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide?
The InChIKey is LUYQLIDHRSQFHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)15(19-17(21)14-9-5-6-10-14)11-18-16(20)13-7-3-4-8-13/h7,9,12,15H,3-6,8,10-11H2,1-2H3,(H,18,20)(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide?
N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 97226445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).