1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea

C16H32N2O3 — CID 111428431

IUPAC1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCC(C)(C)C(O)CNC(=O)NCCOC1CCCCCC1
InChIInChI=1S/C16H32N2O3/c1-16(2,3)14(19)12-18-15(20)17-10-11-21-13-8-6-4-5-7-9-13/h13-14,19H,4-12H2,1-3H3,(H2,17,18,20)
InChIKeyZSERNPDQEOXRDG-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.43
Rot. Bonds6

About 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea

1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea (PubChem CID 111428431) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
PubChem CID111428431
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCC(C)(C)C(O)CNC(=O)NCCOC1CCCCCC1
InChIInChI=1S/C16H32N2O3/c1-16(2,3)14(19)12-18-15(20)17-10-11-21-13-8-6-4-5-7-9-13/h13-14,19H,4-12H2,1-3H3,(H2,17,18,20)
InChIKeyZSERNPDQEOXRDG-UHFFFAOYSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338531
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
CID 77009240
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
(2S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylbutanoic acid
CID 63834422
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002250

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea (CID 111428431) is 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea is CC(C)(C)C(O)CNC(=O)NCCOC1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The InChIKey is ZSERNPDQEOXRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-16(2,3)14(19)12-18-15(20)17-10-11-21-13-8-6-4-5-7-9-13/h13-14,19H,4-12H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea?
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea has a molecular weight of 300.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea is sourced from PubChem (CID 111428431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).