N-butan-2-yl-3-(3-methoxyphenyl)propanamide

C14H21NO2 — CID 60707029

IUPACN-butan-2-yl-3-(3-methoxyphenyl)propanamide
SMILESCCC(C)NC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-11(2)15-14(16)9-8-12-6-5-7-13(10-12)17-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyBBAQWDJXFASRNU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds6

About N-butan-2-yl-3-(3-methoxyphenyl)propanamide

N-butan-2-yl-3-(3-methoxyphenyl)propanamide (PubChem CID 60707029) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methoxyphenyl)propanamide
PubChem CID60707029
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-butan-2-yl-3-(3-methoxyphenyl)propanamide
SMILESCCC(C)NC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-11(2)15-14(16)9-8-12-6-5-7-13(10-12)17-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyBBAQWDJXFASRNU-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-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
4-[3-[1-(3-methoxyphenyl)propan-2-ylamino]-3-oxopropyl]benzoic acid
CID 119185222
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
2-[3-(3-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 43353303
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
CID 100789348
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
1-butan-2-yl-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110920131

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-methoxyphenyl)propanamide (CID 60707029) is N-butan-2-yl-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-methoxyphenyl)propanamide is CCC(C)NC(=O)CCc1cccc(OC)c1.
What is the InChIKey of N-butan-2-yl-3-(3-methoxyphenyl)propanamide?
The InChIKey is BBAQWDJXFASRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(2)15-14(16)9-8-12-6-5-7-13(10-12)17-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-3-(3-methoxyphenyl)propanamide?
N-butan-2-yl-3-(3-methoxyphenyl)propanamide 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-butan-2-yl-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 60707029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).