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

C21H25NO2 — CID 171097068

IUPACN-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)15-8-10-16(11-9-15)20(22-21(23)17-12-13-17)18-6-4-5-7-19(18)24-3/h4-11,14,17,20H,12-13H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyVSBFGHWYNLPXDU-HXUWFJFHSA-N
MW323.44 g/mol
LogP4.43
Rot. Bonds6

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

N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 171097068) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
PubChem CID171097068
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H25NO2/c1-14(2)15-8-10-16(11-9-15)20(22-21(23)17-12-13-17)18-6-4-5-7-19(18)24-3/h4-11,14,17,20H,12-13H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyVSBFGHWYNLPXDU-HXUWFJFHSA-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-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097047
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
CID 171097049
(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95616808
(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
(2S)-1-acetyl-N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-2-carboxamide
CID 171097020
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (CID 171097068) is N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is COc1ccccc1[C@H](NC(=O)C1CC1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is VSBFGHWYNLPXDU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)15-8-10-16(11-9-15)20(22-21(23)17-12-13-17)18-6-4-5-7-19(18)24-3/h4-11,14,17,20H,12-13H2,1-3H3,(H,22,23)/t20-/m1/s1.
What are the key properties of N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
N-[(R)-(2-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-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171097068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).