N-(2-acetamidoethyl)-4-butan-2-ylbenzamide

C15H22N2O2 — CID 110761277

IUPACN-(2-acetamidoethyl)-4-butan-2-ylbenzamide
SMILESCCC(C)c1ccc(C(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-4-11(2)13-5-7-14(8-6-13)15(19)17-10-9-16-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAFYWUGLTNDAPTD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.07
Rot. Bonds6

About N-(2-acetamidoethyl)-4-butan-2-ylbenzamide

N-(2-acetamidoethyl)-4-butan-2-ylbenzamide (PubChem CID 110761277) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-butan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-butan-2-ylbenzamide
PubChem CID110761277
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-acetamidoethyl)-4-butan-2-ylbenzamide
SMILESCCC(C)c1ccc(C(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-4-11(2)13-5-7-14(8-6-13)15(19)17-10-9-16-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAFYWUGLTNDAPTD-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.07
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

4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
4-butan-2-ylbenzohydrazide
CID 83386529
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-(2-acetamidoethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43553032
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
4-butan-2-yl-N-(trifluoromethylsulfonyl)benzamide
CID 135209714
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
N-(2-acetamidoethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 30598296
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-butan-2-ylbenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-butan-2-ylbenzamide (CID 110761277) is N-(2-acetamidoethyl)-4-butan-2-ylbenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-butan-2-ylbenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-butan-2-ylbenzamide is CCC(C)c1ccc(C(=O)NCCNC(C)=O)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-butan-2-ylbenzamide?
The InChIKey is AFYWUGLTNDAPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-11(2)13-5-7-14(8-6-13)15(19)17-10-9-16-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-4-butan-2-ylbenzamide?
N-(2-acetamidoethyl)-4-butan-2-ylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-butan-2-ylbenzamide is sourced from PubChem (CID 110761277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).