1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea

C20H26N2O3 — CID 97075992

IUPAC1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea
SMILESCOc1ccccc1[C@@H](NC(=O)N(C)CC(C)(C)O)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-20(2,24)14-22(3)19(23)21-18(15-10-6-5-7-11-15)16-12-8-9-13-17(16)25-4/h5-13,18,24H,14H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKeyUOIIEPITRVZDQH-SFHVURJKSA-N
MW342.44 g/mol
LogP3.20
Rot. Bonds6

About 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea

1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea (PubChem CID 97075992) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea
PubChem CID97075992
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea
SMILESCOc1ccccc1[C@@H](NC(=O)N(C)CC(C)(C)O)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-20(2,24)14-22(3)19(23)21-18(15-10-6-5-7-11-15)16-12-8-9-13-17(16)25-4/h5-13,18,24H,14H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKeyUOIIEPITRVZDQH-SFHVURJKSA-N
XLogP3.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea
CID 97223665
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide
CID 95616819
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347396
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid
CID 122003516
2-(2-methoxyphenyl)-2-phenylacetate
CID 57353343
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[1-(3-nitrophenyl)ethyl]urea
CID 86778967
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754195
N-[(S)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 129432320

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea (CID 97075992) is 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea is COc1ccccc1[C@@H](NC(=O)N(C)CC(C)(C)O)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea?
The InChIKey is UOIIEPITRVZDQH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,24)14-22(3)19(23)21-18(15-10-6-5-7-11-15)16-12-8-9-13-17(16)25-4/h5-13,18,24H,14H2,1-4H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea?
1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea has a molecular weight of 342.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea is sourced from PubChem (CID 97075992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).