N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide

C17H27NO — CID 71107115

IUPACN-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCCCN(C(=O)C(C)(C)CC)c1cccc(C)c1
InChIInChI=1S/C17H27NO/c1-6-8-12-18(16(19)17(4,5)7-2)15-11-9-10-14(3)13-15/h9-11,13H,6-8,12H2,1-5H3
InChIKeyCCDCJIPKESOXLX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.56
Rot. Bonds6

About N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide

N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide (PubChem CID 71107115) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
PubChem CID71107115
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCCCN(C(=O)C(C)(C)CC)c1cccc(C)c1
InChIInChI=1S/C17H27NO/c1-6-8-12-18(16(19)17(4,5)7-2)15-11-9-10-14(3)13-15/h9-11,13H,6-8,12H2,1-5H3
InChIKeyCCDCJIPKESOXLX-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
CID 71107442
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
1-(3-methylphenyl)-1-pentylurea
CID 3032149
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
N,N-dibutyl-3-methylaniline
CID 15332677
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide?
The IUPAC name of N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide (CID 71107115) is N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide is CCCCN(C(=O)C(C)(C)CC)c1cccc(C)c1.
What is the InChIKey of N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide?
The InChIKey is CCDCJIPKESOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-8-12-18(16(19)17(4,5)7-2)15-11-9-10-14(3)13-15/h9-11,13H,6-8,12H2,1-5H3.
What are the key properties of N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide?
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide has a molecular weight of 261.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 71107115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).