4-butoxy-4-methyl-N-propylpentanamide

C13H27NO2 — CID 156884877

IUPAC4-butoxy-4-methyl-N-propylpentanamide
SMILESCCCCOC(C)(C)CCC(=O)NCCC
InChIInChI=1S/C13H27NO2/c1-5-7-11-16-13(3,4)9-8-12(15)14-10-6-2/h5-11H2,1-4H3,(H,14,15)
InChIKeyUROFEOJBDNVHHJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.89
Rot. Bonds9

About 4-butoxy-4-methyl-N-propylpentanamide

4-butoxy-4-methyl-N-propylpentanamide (PubChem CID 156884877) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-butoxy-4-methyl-N-propylpentanamide.

Molecular Properties

Compound Name4-butoxy-4-methyl-N-propylpentanamide
PubChem CID156884877
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-butoxy-4-methyl-N-propylpentanamide
SMILESCCCCOC(C)(C)CCC(=O)NCCC
InChIInChI=1S/C13H27NO2/c1-5-7-11-16-13(3,4)9-8-12(15)14-10-6-2/h5-11H2,1-4H3,(H,14,15)
InChIKeyUROFEOJBDNVHHJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.89
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-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide
CID 138517805
N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide
CID 137393842
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
2-[4-[2-[(3-butoxy-3-methylbutyl)amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 123583698
4,4-dimethyl-5-oxo-N-propylhexanamide
CID 88908325
3-butoxy-N,3-dimethylbutanamide
CID 171565202
N,N'-dipropyldecanediamide
CID 102239298
dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
CID 177060891
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
N-(3,3-dimethylbutyl)-4-[3-(2,2-dimethylpropylsulfanyl)-3-methylbutoxy]-4-methylpentanamide
CID 134175289
N'-(2-dodecyltetradecyl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]butanediamide
CID 123413413

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-4-methyl-N-propylpentanamide?
The IUPAC name of 4-butoxy-4-methyl-N-propylpentanamide (CID 156884877) is 4-butoxy-4-methyl-N-propylpentanamide.
What is the SMILES notation for 4-butoxy-4-methyl-N-propylpentanamide?
The canonical SMILES for 4-butoxy-4-methyl-N-propylpentanamide is CCCCOC(C)(C)CCC(=O)NCCC.
What is the InChIKey of 4-butoxy-4-methyl-N-propylpentanamide?
The InChIKey is UROFEOJBDNVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-11-16-13(3,4)9-8-12(15)14-10-6-2/h5-11H2,1-4H3,(H,14,15).
What are the key properties of 4-butoxy-4-methyl-N-propylpentanamide?
4-butoxy-4-methyl-N-propylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-4-methyl-N-propylpentanamide is sourced from PubChem (CID 156884877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).