N-[1-(3-methoxyphenyl)propan-2-yl]butanamide

C14H21NO2 — CID 174918913

IUPACN-[1-(3-methoxyphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-14(16)15-11(2)9-12-7-5-8-13(10-12)17-3/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,15,16)
InChIKeyIJLZZCBKLWKRNZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds6

About N-[1-(3-methoxyphenyl)propan-2-yl]butanamide

N-[1-(3-methoxyphenyl)propan-2-yl]butanamide (PubChem CID 174918913) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propan-2-yl]butanamide
PubChem CID174918913
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(3-methoxyphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-14(16)15-11(2)9-12-7-5-8-13(10-12)17-3/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,15,16)
InChIKeyIJLZZCBKLWKRNZ-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-[1-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propan-2-yl]butanamide
CID 156571825
4-[3-[1-(3-methoxyphenyl)propan-2-ylamino]-3-oxopropyl]benzoic acid
CID 119185222
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide
CID 86941710
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
The IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]butanamide (CID 174918913) is N-[1-(3-methoxyphenyl)propan-2-yl]butanamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)propan-2-yl]butanamide is CCCC(=O)NC(C)Cc1cccc(OC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
The InChIKey is IJLZZCBKLWKRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-14(16)15-11(2)9-12-7-5-8-13(10-12)17-3/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 174918913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).