ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate

C16H32N2O3 — CID 104917991

IUPACethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
SMILESCCCN(CC)CCNC(=O)C(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-11-18(8-2)12-10-17-14(19)13(16(4,5)6)15(20)21-9-3/h13H,7-12H2,1-6H3,(H,17,19)
InChIKeyJVPZCFLSUJDYOY-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.06
Rot. Bonds9

About ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate

ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate (PubChem CID 104917991) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
PubChem CID104917991
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
SMILESCCCN(CC)CCNC(=O)C(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-11-18(8-2)12-10-17-14(19)13(16(4,5)6)15(20)21-9-3/h13H,7-12H2,1-6H3,(H,17,19)
InChIKeyJVPZCFLSUJDYOY-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3,3-dimethyl-2-(3-methylbutylcarbamoyl)butanoate
CID 116537631
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
CID 113247689
4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
CID 61325588
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926
4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide
CID 114227632
ethyl 3,3-dimethyl-2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]butanoate
CID 116538089
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867
ethyl 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-3,3-dimethylbutanoate
CID 116537897
4-amino-5-[2-[ethyl(propyl)amino]ethylamino]-5-oxopentanoic acid
CID 114134040
ethyl 3,3-dimethyl-2-(2,4,4-trimethylpentan-2-ylcarbamoyl)butanoate
CID 116537949

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate (CID 104917991) is ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate is CCCN(CC)CCNC(=O)C(C(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate?
The InChIKey is JVPZCFLSUJDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-11-18(8-2)12-10-17-14(19)13(16(4,5)6)15(20)21-9-3/h13H,7-12H2,1-6H3,(H,17,19).
What are the key properties of ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate?
ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate has a molecular weight of 300.44 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate is sourced from PubChem (CID 104917991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).