1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea

C19H24N2O2 — CID 108897327

IUPAC1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
SMILESCOc1ccccc1CNC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H24N2O2/c1-15(2)21(14-16-9-5-4-6-10-16)19(22)20-13-17-11-7-8-12-18(17)23-3/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyGAISFUOECDKYSM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.82
Rot. Bonds6

About 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea

1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea (PubChem CID 108897327) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
PubChem CID108897327
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
SMILESCOc1ccccc1CNC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H24N2O2/c1-15(2)21(14-16-9-5-4-6-10-16)19(22)20-13-17-11-7-8-12-18(17)23-3/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyGAISFUOECDKYSM-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
1-benzyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112975497
N-[(4-fluorophenyl)methyl]-N-[1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133215138
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149508
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133213931
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-amino-N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119309200

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea (CID 108897327) is 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea is COc1ccccc1CNC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea?
The InChIKey is GAISFUOECDKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(2)21(14-16-9-5-4-6-10-16)19(22)20-13-17-11-7-8-12-18(17)23-3/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea?
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea has a molecular weight of 312.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea is sourced from PubChem (CID 108897327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).