N-butyl-N,2-dimethylpropanamide

C9H19NO — CID 21413636

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

About N-butyl-N,2-dimethylpropanamide

N-butyl-N,2-dimethylpropanamide (PubChem CID 21413636) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-butyl-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethylpropanamide
PubChem CID21413636
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-butyl-N,2-dimethylpropanamide
SMILESCCCCN(C)C(=O)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-10(4)9(11)8(2)3/h8H,5-7H2,1-4H3
InChIKeyNWVWTMMFFAXYFD-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-dimethyl-N-(2-pentoxyethyl)propanamide
CID 163400229
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate
CID 162060227
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea
CID 141134273
3-methyl-2-[methyl(pentyl)carbamoyl]butanoic acid
CID 115186289

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethylpropanamide?
The IUPAC name of N-butyl-N,2-dimethylpropanamide (CID 21413636) is N-butyl-N,2-dimethylpropanamide.
What is the SMILES notation for N-butyl-N,2-dimethylpropanamide?
The canonical SMILES for N-butyl-N,2-dimethylpropanamide is CCCCN(C)C(=O)C(C)C.
What is the InChIKey of N-butyl-N,2-dimethylpropanamide?
The InChIKey is NWVWTMMFFAXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-10(4)9(11)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of N-butyl-N,2-dimethylpropanamide?
N-butyl-N,2-dimethylpropanamide 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-butyl-N,2-dimethylpropanamide is sourced from PubChem (CID 21413636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).