N-(3-butan-2-ylphenyl)propanamide

C13H19NO — CID 139481795

IUPACN-(3-butan-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(C(C)CC)c1
InChIInChI=1S/C13H19NO/c1-4-10(3)11-7-6-8-12(9-11)14-13(15)5-2/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyJJWHCKRXXRQDTK-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.55
Rot. Bonds4

About N-(3-butan-2-ylphenyl)propanamide

N-(3-butan-2-ylphenyl)propanamide (PubChem CID 139481795) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3-butan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-butan-2-ylphenyl)propanamide
PubChem CID139481795
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(3-butan-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(C(C)CC)c1
InChIInChI=1S/C13H19NO/c1-4-10(3)11-7-6-8-12(9-11)14-13(15)5-2/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyJJWHCKRXXRQDTK-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
N-(3-acetylphenyl)propanamide
CID 903063
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-ylphenyl)propanamide?
The IUPAC name of N-(3-butan-2-ylphenyl)propanamide (CID 139481795) is N-(3-butan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(3-butan-2-ylphenyl)propanamide?
The canonical SMILES for N-(3-butan-2-ylphenyl)propanamide is CCC(=O)Nc1cccc(C(C)CC)c1.
What is the InChIKey of N-(3-butan-2-ylphenyl)propanamide?
The InChIKey is JJWHCKRXXRQDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10(3)11-7-6-8-12(9-11)14-13(15)5-2/h6-10H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(3-butan-2-ylphenyl)propanamide?
N-(3-butan-2-ylphenyl)propanamide has a molecular weight of 205.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-ylphenyl)propanamide is sourced from PubChem (CID 139481795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).