N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide

C17H19N3O3 — CID 32527019

IUPACN-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-15-9-7-14(8-10-15)20-17(22)19-12-11-18-16(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyCWKNFFSMZTXHAW-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.25
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide

N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide (PubChem CID 32527019) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
PubChem CID32527019
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-15-9-7-14(8-10-15)20-17(22)19-12-11-18-16(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyCWKNFFSMZTXHAW-UHFFFAOYSA-N
XLogP2.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
CID 55818884
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide (CID 32527019) is N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide is COc1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide?
The InChIKey is CWKNFFSMZTXHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-15-9-7-14(8-10-15)20-17(22)19-12-11-18-16(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide?
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 32527019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).