N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

C21H25NO2 — CID 171097080

IUPACN-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(NC(=O)C2CC2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)15-4-6-16(7-5-15)20(22-21(23)18-8-9-18)17-10-12-19(24-3)13-11-17/h4-7,10-14,18,20H,8-9H2,1-3H3,(H,22,23)
InChIKeyKUBFONILYVBXNJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.43
Rot. Bonds6

About N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 171097080) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
PubChem CID171097080
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(NC(=O)C2CC2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)15-4-6-16(7-5-15)20(22-21(23)18-8-9-18)17-10-12-19(24-3)13-11-17/h4-7,10-14,18,20H,8-9H2,1-3H3,(H,22,23)
InChIKeyKUBFONILYVBXNJ-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571
(3R)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
CID 51925015
(3R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,1-dioxothiolane-3-carboxamide
CID 51925014
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154200
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 176904217
N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097142
N-[bis(4-methoxyphenyl)methyl]-4-[(3-chloro-5-sulfamoyl-2-pyridinyl)oxymethyl]cyclohexane-1-carboxamide
CID 68671289
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (CID 171097080) is N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is COc1ccc(C(NC(=O)C2CC2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is KUBFONILYVBXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)15-4-6-16(7-5-15)20(22-21(23)18-8-9-18)17-10-12-19(24-3)13-11-17/h4-7,10-14,18,20H,8-9H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171097080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).