ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate

C16H29NO4 — CID 102865998

IUPACethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)N(CCCO)C1CCC1)C(C)(C)C
InChIInChI=1S/C16H29NO4/c1-5-21-15(20)13(16(2,3)4)14(19)17(10-7-11-18)12-8-6-9-12/h12-13,18H,5-11H2,1-4H3
InChIKeyBGSNPALAEDGVOW-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.98
Rot. Bonds7

About ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate

ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate (PubChem CID 102865998) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate
PubChem CID102865998
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nameethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(C(=O)N(CCCO)C1CCC1)C(C)(C)C
InChIInChI=1S/C16H29NO4/c1-5-21-15(20)13(16(2,3)4)14(19)17(10-7-11-18)12-8-6-9-12/h12-13,18H,5-11H2,1-4H3
InChIKeyBGSNPALAEDGVOW-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate 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-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 102866004
ethyl 2-[cyclohexyl(ethyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537665
ethyl 2-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537917
N-cyclobutyl-2-ethyl-N-(3-hydroxypropyl)hexanamide
CID 102866331
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103514023
6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylheptanamide
CID 102861762
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
N-[1-[cyclobutyl(3-hydroxypropyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 102866389
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 102861246
ethyl 3,3-dimethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]butanoate
CID 116537931

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate (CID 102865998) is ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate is CCOC(=O)C(C(=O)N(CCCO)C1CCC1)C(C)(C)C.
What is the InChIKey of ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate?
The InChIKey is BGSNPALAEDGVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-5-21-15(20)13(16(2,3)4)14(19)17(10-7-11-18)12-8-6-9-12/h12-13,18H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate?
ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate has a molecular weight of 299.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate is sourced from PubChem (CID 102865998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).