N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide

C24H25N3O3 — CID 55835052

IUPACN-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)Nc2ccc(C)cc2OCc2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-17-11-12-22(23(13-17)30-16-19-7-4-3-5-8-19)27-24(29)25-15-20-9-6-10-21(14-20)26-18(2)28/h3-14H,15-16H2,1-2H3,(H,26,28)(H2,25,27,29)
InChIKeyRFLVQAOFPGQLIZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.85
Rot. Bonds7

About N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide

N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide (PubChem CID 55835052) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide
PubChem CID55835052
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)Nc2ccc(C)cc2OCc2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-17-11-12-22(23(13-17)30-16-19-7-4-3-5-8-19)27-24(29)25-15-20-9-6-10-21(14-20)26-18(2)28/h3-14H,15-16H2,1-2H3,(H,26,28)(H2,25,27,29)
InChIKeyRFLVQAOFPGQLIZ-UHFFFAOYSA-N
XLogP4.85
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
CID 122150574
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(2-hydroxycyclohexyl)-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 56518924
N-[3-[[(pyrimidin-2-ylamino)carbamoylamino]methyl]phenyl]acetamide
CID 71893363
1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 55835183
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide (CID 55835052) is N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNC(=O)Nc2ccc(C)cc2OCc2ccccc2)c1.
What is the InChIKey of N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide?
The InChIKey is RFLVQAOFPGQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-11-12-22(23(13-17)30-16-19-7-4-3-5-8-19)27-24(29)25-15-20-9-6-10-21(14-20)26-18(2)28/h3-14H,15-16H2,1-2H3,(H,26,28)(H2,25,27,29).
What are the key properties of N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide?
N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 55835052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).