N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide

C16H31N3O2 — CID 71884631

IUPACN-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCCCN(CCN(C)C)C(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C16H31N3O2/c1-4-11-19(13-12-18(2)3)15(20)9-10-17-16(21)14-7-5-6-8-14/h14H,4-13H2,1-3H3,(H,17,21)
InChIKeyMTBISLWECHRHLL-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.48
Rot. Bonds9

About N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 71884631) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID71884631
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCCCN(CCN(C)C)C(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C16H31N3O2/c1-4-11-19(13-12-18(2)3)15(20)9-10-17-16(21)14-7-5-6-8-14/h14H,4-13H2,1-3H3,(H,17,21)
InChIKeyMTBISLWECHRHLL-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-propylcyclooctanecarboxamide
CID 65022755
(3S)-N-[3-(diethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 81124971
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 62781778
5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
CID 107909937
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide
CID 113051902
3-[3-(cyclopentanecarbonylamino)propanoyl-ethylamino]butanoic acid
CID 62820694
N-[2-(dimethylamino)ethyl]-5-hydroxy-N-propylpentanamide
CID 79209171
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide (CID 71884631) is N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide is CCCN(CCN(C)C)C(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is MTBISLWECHRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-11-19(13-12-18(2)3)15(20)9-10-17-16(21)14-7-5-6-8-14/h14H,4-13H2,1-3H3,(H,17,21).
What are the key properties of N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl-propylamino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 71884631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).