1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea

C14H23N3O3 — CID 103839105

IUPAC1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC(C)(O)CN(C)C)c1
InChIInChI=1S/C14H23N3O3/c1-14(19,10-17(2)3)9-15-13(18)16-11-6-5-7-12(8-11)20-4/h5-8,19H,9-10H2,1-4H3,(H2,15,16,18)
InChIKeyXKOZGGJIWLOKGA-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.13
Rot. Bonds6

About 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea

1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea (PubChem CID 103839105) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
PubChem CID103839105
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC(C)(O)CN(C)C)c1
InChIInChI=1S/C14H23N3O3/c1-14(19,10-17(2)3)9-15-13(18)16-11-6-5-7-12(8-11)20-4/h5-8,19H,9-10H2,1-4H3,(H2,15,16,18)
InChIKeyXKOZGGJIWLOKGA-UHFFFAOYSA-N
XLogP1.13
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
CID 95980205
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
CID 60733422
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid
CID 61192307
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea (CID 103839105) is 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCC(C)(O)CN(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea?
The InChIKey is XKOZGGJIWLOKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(19,10-17(2)3)9-15-13(18)16-11-6-5-7-12(8-11)20-4/h5-8,19H,9-10H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea?
1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea has a molecular weight of 281.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 103839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).