N-(3-butoxypropyl)-2-methylpentanamide

C13H27NO2 — CID 2914717

IUPACN-(3-butoxypropyl)-2-methylpentanamide
SMILESCCCCOCCCNC(=O)C(C)CCC
InChIInChI=1S/C13H27NO2/c1-4-6-10-16-11-7-9-14-13(15)12(3)8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyBUPQCURNGQQDKC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.75
Rot. Bonds10

About N-(3-butoxypropyl)-2-methylpentanamide

N-(3-butoxypropyl)-2-methylpentanamide (PubChem CID 2914717) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-methylpentanamide
PubChem CID2914717
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-butoxypropyl)-2-methylpentanamide
SMILESCCCCOCCCNC(=O)C(C)CCC
InChIInChI=1S/C13H27NO2/c1-4-6-10-16-11-7-9-14-13(15)12(3)8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyBUPQCURNGQQDKC-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)cyclohexanecarboxamide
CID 2289748
N-isopentyl-4-methylpentanamide
CID 20442825
N1-acetyl-N7-4''-methyl-pentoyl cadaverine
CID 139591680
N-(3-methoxy-2,2-dimethylpropyl)-2,2,3,3-tetramethylcyclopropanecarboxamide
CID 56743494
(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide
CID 149365164
N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide
CID 158934566
N-butyl-2-methylpentanamide
CID 3523341
2-methyl-N-propylpentanamide
CID 4474213
2-methyl-N-(2-methylpropyl)pentanamide
CID 4477096
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
CID 78858799

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-methylpentanamide?
The IUPAC name of N-(3-butoxypropyl)-2-methylpentanamide (CID 2914717) is N-(3-butoxypropyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-methylpentanamide?
The canonical SMILES for N-(3-butoxypropyl)-2-methylpentanamide is CCCCOCCCNC(=O)C(C)CCC.
What is the InChIKey of N-(3-butoxypropyl)-2-methylpentanamide?
The InChIKey is BUPQCURNGQQDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-10-16-11-7-9-14-13(15)12(3)8-5-2/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-(3-butoxypropyl)-2-methylpentanamide?
N-(3-butoxypropyl)-2-methylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-methylpentanamide is sourced from PubChem (CID 2914717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).