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

C26H27N3O4 — CID 55883350

IUPAC3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)ccc1OCc1ccccc1
InChIInChI=1S/C26H27N3O4/c1-32-24-14-19(10-13-23(24)33-17-18-6-3-2-4-7-18)16-27-25(30)20-8-5-9-22(15-20)29-26(31)28-21-11-12-21/h2-10,13-15,21H,11-12,16-17H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyKAFUQGOTPUKOCP-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.49
Rot. Bonds9

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

3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 55883350) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID55883350
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)ccc1OCc1ccccc1
InChIInChI=1S/C26H27N3O4/c1-32-24-14-19(10-13-23(24)33-17-18-6-3-2-4-7-18)16-27-25(30)20-8-5-9-22(15-20)29-26(31)28-21-11-12-21/h2-10,13-15,21H,11-12,16-17H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyKAFUQGOTPUKOCP-UHFFFAOYSA-N
XLogP4.49
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
2-[3-[[[3-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246952
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 16597574
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide (CID 55883350) is 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is KAFUQGOTPUKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-24-14-19(10-13-23(24)33-17-18-6-3-2-4-7-18)16-27-25(30)20-8-5-9-22(15-20)29-26(31)28-21-11-12-21/h2-10,13-15,21H,11-12,16-17H2,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55883350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).