1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea

C14H23N3O2 — CID 108988227

IUPAC1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NCCN(C)C
InChIInChI=1S/C14H23N3O2/c1-11(2)19-13-8-6-5-7-12(13)16-14(18)15-9-10-17(3)4/h5-8,11H,9-10H2,1-4H3,(H2,15,16,18)
InChIKeyOJAHXSVMECUPQD-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.16
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea

1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 108988227) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
PubChem CID108988227
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NCCN(C)C
InChIInChI=1S/C14H23N3O2/c1-11(2)19-13-8-6-5-7-12(13)16-14(18)15-9-10-17(3)4/h5-8,11H,9-10H2,1-4H3,(H2,15,16,18)
InChIKeyOJAHXSVMECUPQD-UHFFFAOYSA-N
XLogP2.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109016279
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
1-(2-propan-2-yloxyphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974497
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 112973546
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea (CID 108988227) is 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea is CC(C)Oc1ccccc1NC(=O)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is OJAHXSVMECUPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)19-13-8-6-5-7-12(13)16-14(18)15-9-10-17(3)4/h5-8,11H,9-10H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea?
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 108988227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).