N-butyl-2-cyclopentylpropanamide

C12H23NO — CID 173178636

IUPACN-butyl-2-cyclopentylpropanamide
SMILESCCCCNC(=O)C(C)C1CCCC1
InChIInChI=1S/C12H23NO/c1-3-4-9-13-12(14)10(2)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyMDQBARCYGXKJMD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds5

About N-butyl-2-cyclopentylpropanamide

N-butyl-2-cyclopentylpropanamide (PubChem CID 173178636) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-butyl-2-cyclopentylpropanamide.

Molecular Properties

Compound NameN-butyl-2-cyclopentylpropanamide
PubChem CID173178636
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-butyl-2-cyclopentylpropanamide
SMILESCCCCNC(=O)C(C)C1CCCC1
InChIInChI=1S/C12H23NO/c1-3-4-9-13-12(14)10(2)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyMDQBARCYGXKJMD-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513
2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
CID 110419542
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclopentylpropanamide?
The IUPAC name of N-butyl-2-cyclopentylpropanamide (CID 173178636) is N-butyl-2-cyclopentylpropanamide.
What is the SMILES notation for N-butyl-2-cyclopentylpropanamide?
The canonical SMILES for N-butyl-2-cyclopentylpropanamide is CCCCNC(=O)C(C)C1CCCC1.
What is the InChIKey of N-butyl-2-cyclopentylpropanamide?
The InChIKey is MDQBARCYGXKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-9-13-12(14)10(2)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-2-cyclopentylpropanamide?
N-butyl-2-cyclopentylpropanamide has a molecular weight of 197.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclopentylpropanamide is sourced from PubChem (CID 173178636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).