N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide

C16H21NO3 — CID 82156444

IUPACN-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
SMILESCC(=O)c1ccc(OCC(C)C)c(NC(=O)C2CC2)c1
InChIInChI=1S/C16H21NO3/c1-10(2)9-20-15-7-6-13(11(3)18)8-14(15)17-16(19)12-4-5-12/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyKPZGSSMLYZODCZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.27
Rot. Bonds6

About N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide

N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide (PubChem CID 82156444) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
PubChem CID82156444
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
SMILESCC(=O)c1ccc(OCC(C)C)c(NC(=O)C2CC2)c1
InChIInChI=1S/C16H21NO3/c1-10(2)9-20-15-7-6-13(11(3)18)8-14(15)17-16(19)12-4-5-12/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyKPZGSSMLYZODCZ-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclohexanecarboxamide
CID 94763152
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-[5-acetyl-2-(2-methylpropoxy)phenyl]-2,2,2-trifluoroacetamide
CID 82156457
4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 60928509
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
CID 118626481
3-(carbamothioylamino)-4-(2-methylpropoxy)benzoic acid
CID 169357649
N-(5-acetyl-2-propoxyphenyl)-2-methylpropanamide
CID 82156414
N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 141041988
N-[3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 55573525
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide (CID 82156444) is N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide is CC(=O)c1ccc(OCC(C)C)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide?
The InChIKey is KPZGSSMLYZODCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(2)9-20-15-7-6-13(11(3)18)8-14(15)17-16(19)12-4-5-12/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide?
N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82156444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).