N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide

C16H31N3O2 — CID 96504389

IUPACN-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide
SMILESCC[C@H](C(=O)NCCNC(=O)C1CCCC1)N(CC)CC
InChIInChI=1S/C16H31N3O2/c1-4-14(19(5-2)6-3)16(21)18-12-11-17-15(20)13-9-7-8-10-13/h13-14H,4-12H2,1-3H3,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyXJHCRTCSTLJXJW-CQSZACIVSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds9

About N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide

N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide (PubChem CID 96504389) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide
PubChem CID96504389
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide
SMILESCC[C@H](C(=O)NCCNC(=O)C1CCCC1)N(CC)CC
InChIInChI=1S/C16H31N3O2/c1-4-14(19(5-2)6-3)16(21)18-12-11-17-15(20)13-9-7-8-10-13/h13-14H,4-12H2,1-3H3,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyXJHCRTCSTLJXJW-CQSZACIVSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[(2S)-2-(diethylamino)butanoyl]-N-propylpiperidine-3-carboxamide
CID 96504380
N-propylcyclooctanecarboxamide
CID 65022755
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid
CID 62820694
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-[2-(1-methoxypropan-2-ylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612562
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]cyclohexanecarboxamide
CID 111225319
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide (CID 96504389) is N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide is CC[C@H](C(=O)NCCNC(=O)C1CCCC1)N(CC)CC.
What is the InChIKey of N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide?
The InChIKey is XJHCRTCSTLJXJW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-14(19(5-2)6-3)16(21)18-12-11-17-15(20)13-9-7-8-10-13/h13-14H,4-12H2,1-3H3,(H,17,20)(H,18,21)/t14-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide?
N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-(diethylamino)butanoyl]amino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 96504389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).