N,2-dimethyl-N-propylbutanamide

C9H19NO — CID 89368936

IUPACN,2-dimethyl-N-propylbutanamide
SMILESCCCN(C)C(=O)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-7-10(4)9(11)8(3)6-2/h8H,5-7H2,1-4H3
InChIKeyLXMMFBSTNLRKOP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.90
Rot. Bonds4

About N,2-dimethyl-N-propylbutanamide

N,2-dimethyl-N-propylbutanamide (PubChem CID 89368936) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,2-dimethyl-N-propylbutanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-propylbutanamide
PubChem CID89368936
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,2-dimethyl-N-propylbutanamide
SMILESCCCN(C)C(=O)C(C)CC
InChIInChI=1S/C9H19NO/c1-5-7-10(4)9(11)8(3)6-2/h8H,5-7H2,1-4H3
InChIKeyLXMMFBSTNLRKOP-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
N-ethyl-N,2-dimethylbutanamide
CID 89343843
(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820
2-ethoxy-N-methyl-N-propylpropanamide
CID 145156816
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide
CID 155707433
N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189074
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propylbutanamide?
The IUPAC name of N,2-dimethyl-N-propylbutanamide (CID 89368936) is N,2-dimethyl-N-propylbutanamide.
What is the SMILES notation for N,2-dimethyl-N-propylbutanamide?
The canonical SMILES for N,2-dimethyl-N-propylbutanamide is CCCN(C)C(=O)C(C)CC.
What is the InChIKey of N,2-dimethyl-N-propylbutanamide?
The InChIKey is LXMMFBSTNLRKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7-10(4)9(11)8(3)6-2/h8H,5-7H2,1-4H3.
What are the key properties of N,2-dimethyl-N-propylbutanamide?
N,2-dimethyl-N-propylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propylbutanamide is sourced from PubChem (CID 89368936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).