2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid

C21H23NO4 — CID 120975218

IUPAC2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCOc1ccc(C(NC(=O)C2CCC2C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-2-26-16-10-8-15(9-11-16)19(14-6-4-3-5-7-14)22-20(23)17-12-13-18(17)21(24)25/h3-11,17-19H,2,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDLRSMWPEECYZRA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.40
Rot. Bonds7

About 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975218) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975218
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCOc1ccc(C(NC(=O)C2CCC2C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO4/c1-2-26-16-10-8-15(9-11-16)19(14-6-4-3-5-7-14)22-20(23)17-12-13-18(17)21(24)25/h3-11,17-19H,2,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDLRSMWPEECYZRA-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
(1R,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 124714365
(1S,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27000371
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
cis-(1S,2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 124756785
(1S,6S)-6-[[(S)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 11893824
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154200
2-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974382
2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975283
(1R,6R)-6-(benzhydrylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1139576
trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
CID 124738701

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120975218) is 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid is CCOc1ccc(C(NC(=O)C2CCC2C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is DLRSMWPEECYZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-2-26-16-10-8-15(9-11-16)19(14-6-4-3-5-7-14)22-20(23)17-12-13-18(17)21(24)25/h3-11,17-19H,2,12-13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).