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

C21H28N2O2 — CID 86943865

IUPAC1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
SMILESCOc1cccc(CC(C)NC(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-16(2)23(15-18-9-6-5-7-10-18)21(24)22-17(3)13-19-11-8-12-20(14-19)25-4/h5-12,14,16-17H,13,15H2,1-4H3,(H,22,24)
InChIKeyWCPCHZNMGKPTSC-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.25
Rot. Bonds7

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

1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea (PubChem CID 86943865) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
PubChem CID86943865
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
SMILESCOc1cccc(CC(C)NC(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-16(2)23(15-18-9-6-5-7-10-18)21(24)22-17(3)13-19-11-8-12-20(14-19)25-4/h5-12,14,16-17H,13,15H2,1-4H3,(H,22,24)
InChIKeyWCPCHZNMGKPTSC-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943844
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 56789155
3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea
CID 86943339
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea (CID 86943865) is 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea is COc1cccc(CC(C)NC(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea?
The InChIKey is WCPCHZNMGKPTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(2)23(15-18-9-6-5-7-10-18)21(24)22-17(3)13-19-11-8-12-20(14-19)25-4/h5-12,14,16-17H,13,15H2,1-4H3,(H,22,24).
What are the key properties of 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea?
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea has a molecular weight of 340.47 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea is sourced from PubChem (CID 86943865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).