3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide

C23H23N3O4 — CID 9470765

IUPAC3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(NC(N)=O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-29-21-12-17(10-11-20(21)30-15-16-6-3-2-4-7-16)14-25-22(27)18-8-5-9-19(13-18)26-23(24)28/h2-13H,14-15H2,1H3,(H,25,27)(H3,24,26,28)
InChIKeySURNDTXMTQLDCH-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.69
Rot. Bonds8

About 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide

3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 9470765) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID9470765
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(NC(N)=O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-29-21-12-17(10-11-20(21)30-15-16-6-3-2-4-7-16)14-25-22(27)18-8-5-9-19(13-18)26-23(24)28/h2-13H,14-15H2,1H3,(H,25,27)(H3,24,26,28)
InChIKeySURNDTXMTQLDCH-UHFFFAOYSA-N
XLogP3.69
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 16597574
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (CID 9470765) is 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cccc(NC(N)=O)c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is SURNDTXMTQLDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-21-12-17(10-11-20(21)30-15-16-6-3-2-4-7-16)14-25-22(27)18-8-5-9-19(13-18)26-23(24)28/h2-13H,14-15H2,1H3,(H,25,27)(H3,24,26,28).
What are the key properties of 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 9470765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).