N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide

C17H27NO2 — CID 172775703

IUPACN-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide
SMILESCCC(C)NC(=O)C(CC)(CC)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-6-13(4)18-16(19)17(7-2,8-3)14-10-9-11-15(12-14)20-5/h9-13H,6-8H2,1-5H3,(H,18,19)
InChIKeyNOIDQJOKCCOTOU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.67
Rot. Bonds7

About N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide

N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide (PubChem CID 172775703) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide
PubChem CID172775703
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide
SMILESCCC(C)NC(=O)C(CC)(CC)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-6-13(4)18-16(19)17(7-2,8-3)14-10-9-11-15(12-14)20-5/h9-13H,6-8H2,1-5H3,(H,18,19)
InChIKeyNOIDQJOKCCOTOU-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
N-butan-2-yl-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373552
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 134439236
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide?
The IUPAC name of N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide (CID 172775703) is N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide.
What is the SMILES notation for N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide?
The canonical SMILES for N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide is CCC(C)NC(=O)C(CC)(CC)c1cccc(OC)c1.
What is the InChIKey of N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide?
The InChIKey is NOIDQJOKCCOTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-13(4)18-16(19)17(7-2,8-3)14-10-9-11-15(12-14)20-5/h9-13H,6-8H2,1-5H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide?
N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 172775703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).