3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide

C18H29NO — CID 18735669

IUPAC3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(C(=O)CC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C18H29NO/c1-7-15(8-2)19(17(20)13-18(4,5)6)16-11-9-10-14(3)12-16/h9-12,15H,7-8,13H2,1-6H3
InChIKeyKJMJELZDBSVUIG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.95
Rot. Bonds5

About 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide

3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide (PubChem CID 18735669) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide
PubChem CID18735669
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(C(=O)CC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C18H29NO/c1-7-15(8-2)19(17(20)13-18(4,5)6)16-11-9-10-14(3)12-16/h9-12,15H,7-8,13H2,1-6H3
InChIKeyKJMJELZDBSVUIG-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethylphenyl)-N-heptan-2-yl-3,3-dimethylbutanamide
CID 18735943
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 142120433
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
ethyl (E)-4-(N-ethyl-3-methylanilino)but-2-enoate
CID 80549353
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729
ethyl 3-hydroxy-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 55071318
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
CID 62623748
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide?
The IUPAC name of 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide (CID 18735669) is 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide is CCC(CC)N(C(=O)CC(C)(C)C)c1cccc(C)c1.
What is the InChIKey of 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide?
The InChIKey is KJMJELZDBSVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-7-15(8-2)19(17(20)13-18(4,5)6)16-11-9-10-14(3)12-16/h9-12,15H,7-8,13H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide?
3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide has a molecular weight of 275.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 18735669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).