3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide

C16H25NO — CID 51968699

IUPAC3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)CC(=O)N[C@H](C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-11(2)10-16(18)17-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyUHEKEANHIDPZFJ-CYBMUJFWSA-N
MW247.38 g/mol
LogP4.03
Rot. Bonds5

About 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide

3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide (PubChem CID 51968699) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide
PubChem CID51968699
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCC(C)CC(=O)N[C@H](C)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-11(2)10-16(18)17-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyUHEKEANHIDPZFJ-CYBMUJFWSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 61251261
2-(propan-2-ylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60671194
2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60638432
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
(4-chlorophenyl)methanol;4-[1-(3-methylbutanoylamino)ethyl]benzoic acid
CID 156722088
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 81353743
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675508
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide (CID 51968699) is 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide is CC(C)CC(=O)N[C@H](C)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide?
The InChIKey is UHEKEANHIDPZFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)10-16(18)17-13(5)15-8-6-14(7-9-15)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide?
3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide has a molecular weight of 247.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 51968699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).