3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide

C18H21N3O4 — CID 38374458

IUPAC3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1OCC
InChIInChI=1S/C18H21N3O4/c1-3-24-15-9-8-14(11-16(15)25-4-2)20-17(22)12-6-5-7-13(10-12)21-18(19)23/h5-11H,3-4H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyMBKINBQGOJQHHR-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.23
Rot. Bonds7

About 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide

3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide (PubChem CID 38374458) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
PubChem CID38374458
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1OCC
InChIInChI=1S/C18H21N3O4/c1-3-24-15-9-8-14(11-16(15)25-4-2)20-17(22)12-6-5-7-13(10-12)21-18(19)23/h5-11H,3-4H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyMBKINBQGOJQHHR-UHFFFAOYSA-N
XLogP3.23
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide (CID 38374458) is 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1OCC.
What is the InChIKey of 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide?
The InChIKey is MBKINBQGOJQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-24-15-9-8-14(11-16(15)25-4-2)20-17(22)12-6-5-7-13(10-12)21-18(19)23/h5-11H,3-4H2,1-2H3,(H,20,22)(H3,19,21,23).
What are the key properties of 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide?
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide has a molecular weight of 343.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide is sourced from PubChem (CID 38374458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).