N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide

C20H22N2O4 — CID 51299958

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-3-26-18-12-14(6-11-17(18)25-2)20(24)22-15-7-4-13(5-8-15)19(23)21-16-9-10-16/h4-8,11-12,16H,3,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIKRDJTWJQUMFAC-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.24
Rot. Bonds7

About N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide

N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 51299958) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
PubChem CID51299958
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-3-26-18-12-14(6-11-17(18)25-2)20(24)22-15-7-4-13(5-8-15)19(23)21-16-9-10-16/h4-8,11-12,16H,3,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIKRDJTWJQUMFAC-UHFFFAOYSA-N
XLogP3.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide (CID 51299958) is N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1OC.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is IKRDJTWJQUMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-18-12-14(6-11-17(18)25-2)20(24)22-15-7-4-13(5-8-15)19(23)21-16-9-10-16/h4-8,11-12,16H,3,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 51299958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).