N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide

C16H31N3O — CID 79544355

IUPACN-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CCCC1C1CCCN1
InChIInChI=1S/C16H31N3O/c1-3-12(2)19-16(20)9-11-18-14-7-4-6-13(14)15-8-5-10-17-15/h12-15,17-18H,3-11H2,1-2H3,(H,19,20)
InChIKeyZNTMLUUNMYIKJL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.80
Rot. Bonds7

About N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide

N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide (PubChem CID 79544355) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide
PubChem CID79544355
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CCCC1C1CCCN1
InChIInChI=1S/C16H31N3O/c1-3-12(2)19-16(20)9-11-18-14-7-4-6-13(14)15-8-5-10-17-15/h12-15,17-18H,3-11H2,1-2H3,(H,19,20)
InChIKeyZNTMLUUNMYIKJL-UHFFFAOYSA-N
XLogP1.80
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propanamide
CID 79548705
N-cyclopropyl-3-[(2-piperidin-2-ylcyclopentyl)amino]propanamide
CID 79545104
N-(2-propan-2-yloxyethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 104759328
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide
CID 79536954
N-(2-methylpropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544832
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 103809553
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 54901064
ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
CID 79541683
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119737566

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide (CID 79544355) is N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide is CCC(C)NC(=O)CCNC1CCCC1C1CCCN1.
What is the InChIKey of N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide?
The InChIKey is ZNTMLUUNMYIKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-12(2)19-16(20)9-11-18-14-7-4-6-13(14)15-8-5-10-17-15/h12-15,17-18H,3-11H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide?
N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propanamide is sourced from PubChem (CID 79544355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).