N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide

C14H28N2O — CID 113457776

IUPACN-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
SMILESCC(NC(C)C(C)(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C14H28N2O/c1-10(15-11(2)14(3,4)5)13(17)16-12-8-6-7-9-12/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyPHQZCVNLIFPQQS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds4

About N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide

N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide (PubChem CID 113457776) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
PubChem CID113457776
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
SMILESCC(NC(C)C(C)(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C14H28N2O/c1-10(15-11(2)14(3,4)5)13(17)16-12-8-6-7-9-12/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyPHQZCVNLIFPQQS-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide?
The IUPAC name of N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide (CID 113457776) is N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide is CC(NC(C)C(C)(C)C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide?
The InChIKey is PHQZCVNLIFPQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(15-11(2)14(3,4)5)13(17)16-12-8-6-7-9-12/h10-12,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide?
N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide is sourced from PubChem (CID 113457776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).