N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide

C14H28N2O — CID 107418064

IUPACN-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
SMILESCC(C)CCNC(=O)CNCC1CCCC1C
InChIInChI=1S/C14H28N2O/c1-11(2)7-8-16-14(17)10-15-9-13-6-4-5-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyKASSFLSDGZXPDM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.17
Rot. Bonds7

About N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide

N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide (PubChem CID 107418064) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
PubChem CID107418064
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
SMILESCC(C)CCNC(=O)CNCC1CCCC1C
InChIInChI=1S/C14H28N2O/c1-11(2)7-8-16-14(17)10-15-9-13-6-4-5-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyKASSFLSDGZXPDM-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418293
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
2-(cyclobutylamino)-N-(3-methylbutyl)acetamide
CID 62414172
N-cycloheptyl-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107417977
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60673190

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide (CID 107418064) is N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide is CC(C)CCNC(=O)CNCC1CCCC1C.
What is the InChIKey of N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide?
The InChIKey is KASSFLSDGZXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)7-8-16-14(17)10-15-9-13-6-4-5-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide?
N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide has a molecular weight of 240.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide is sourced from PubChem (CID 107418064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).