3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea

C16H26N2O3 — CID 126809619

IUPAC3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
SMILESCc1cccc(C)c1NC(=O)N(CCOCCO)C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)18(8-10-21-11-9-19)16(20)17-15-13(3)6-5-7-14(15)4/h5-7,12,19H,8-11H2,1-4H3,(H,17,20)
InChIKeyIVSFXJWMPAHKRP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.55
Rot. Bonds7

About 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea

3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea (PubChem CID 126809619) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
PubChem CID126809619
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
SMILESCc1cccc(C)c1NC(=O)N(CCOCCO)C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)18(8-10-21-11-9-19)16(20)17-15-13(3)6-5-7-14(15)4/h5-7,12,19H,8-11H2,1-4H3,(H,17,20)
InChIKeyIVSFXJWMPAHKRP-UHFFFAOYSA-N
XLogP2.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methyl-3-nitrophenyl)-1-propan-2-ylurea
CID 126797941
ethyl 3-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]propanoate
CID 5040472
3-(4,5-dichloro-2-pyridinyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
CID 122131567
3-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 111578878
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 66251389
3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747
1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea
CID 136529240
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea (CID 126809619) is 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea is Cc1cccc(C)c1NC(=O)N(CCOCCO)C(C)C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
The InChIKey is IVSFXJWMPAHKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)18(8-10-21-11-9-19)16(20)17-15-13(3)6-5-7-14(15)4/h5-7,12,19H,8-11H2,1-4H3,(H,17,20).
What are the key properties of 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea has a molecular weight of 294.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 126809619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).