N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide

C16H24N2O2 — CID 110309467

IUPACN-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
SMILESCC(=O)NCCCNC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(19)17-10-7-11-18-15(20)12-16(2,3)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIEWHRROFJOAQAG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.00
Rot. Bonds7

About N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide

N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide (PubChem CID 110309467) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
PubChem CID110309467
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
SMILESCC(=O)NCCCNC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(19)17-10-7-11-18-15(20)12-16(2,3)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIEWHRROFJOAQAG-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790
N-[3-(dimethylamino)propyl]-3-methyl-3-phenylbutanamide
CID 110295213
N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
CID 60610285
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
N-hexyl-3,3,3-triphenylpropanamide
CID 11417778
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
CID 119255037
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
3-(6-acetamidohexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700687
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide?
The IUPAC name of N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide (CID 110309467) is N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide is CC(=O)NCCCNC(=O)CC(C)(C)c1ccccc1.
What is the InChIKey of N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide?
The InChIKey is IEWHRROFJOAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(19)17-10-7-11-18-15(20)12-16(2,3)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide?
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 110309467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).