1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea

C24H32N2O5 — CID 167095989

IUPAC1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea
SMILESCCOc1cc(CN(CCOCc2ccccc2)C(N)=O)c(C)c(OCC)c1C(C)=O
InChIInChI=1S/C24H32N2O5/c1-5-30-21-14-20(17(3)23(31-6-2)22(21)18(4)27)15-26(24(25)28)12-13-29-16-19-10-8-7-9-11-19/h7-11,14H,5-6,12-13,15-16H2,1-4H3,(H2,25,28)
InChIKeySWVGBPCNESVUGQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.09
Rot. Bonds12

About 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea

1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea (PubChem CID 167095989) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea.

Molecular Properties

Compound Name1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea
PubChem CID167095989
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea
SMILESCCOc1cc(CN(CCOCc2ccccc2)C(N)=O)c(C)c(OCC)c1C(C)=O
InChIInChI=1S/C24H32N2O5/c1-5-30-21-14-20(17(3)23(31-6-2)22(21)18(4)27)15-26(24(25)28)12-13-29-16-19-10-8-7-9-11-19/h7-11,14H,5-6,12-13,15-16H2,1-4H3,(H2,25,28)
InChIKeySWVGBPCNESVUGQ-UHFFFAOYSA-N
XLogP4.09
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-acetyl-3,5-diethoxyphenyl)methyl]-1-(4-phenylbutyl)urea
CID 167095993
1-[[[(1R)-1-(4-acetyl-3,5-diethoxyphenyl)ethyl]-(2-phenylmethoxyethyl)carbamoyl]amino]-3-ethoxycyclobutane-1-carboxylic acid
CID 176799213
1-[[(2-chloro-4-cyclopropyl-3,5-diethoxyphenyl)methyl-(2-phenylmethoxyethyl)carbamoyl]amino]-3,3-difluorocyclobutane-1-carboxylic acid
CID 167095949
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
2-[methyl(2-phenylmethoxyethyl)amino]propanamide
CID 130767373
[2,6-diacetyl-3-(2-aminoethoxy)phenyl] 2-phenylmethoxyacetate
CID 139665936
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea?
The IUPAC name of 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea (CID 167095989) is 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea.
What is the SMILES notation for 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea?
The canonical SMILES for 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea is CCOc1cc(CN(CCOCc2ccccc2)C(N)=O)c(C)c(OCC)c1C(C)=O.
What is the InChIKey of 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea?
The InChIKey is SWVGBPCNESVUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-5-30-21-14-20(17(3)23(31-6-2)22(21)18(4)27)15-26(24(25)28)12-13-29-16-19-10-8-7-9-11-19/h7-11,14H,5-6,12-13,15-16H2,1-4H3,(H2,25,28).
What are the key properties of 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea?
1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea has a molecular weight of 428.53 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetyl-3,5-diethoxy-2-methylphenyl)methyl]-1-(2-phenylmethoxyethyl)urea is sourced from PubChem (CID 167095989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).