methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate

C16H29NO3 — CID 61030682

IUPACmethyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate
SMILESCCCCC1CCC(C(=O)N(C)CCC(=O)OC)CC1
InChIInChI=1S/C16H29NO3/c1-4-5-6-13-7-9-14(10-8-13)16(19)17(2)12-11-15(18)20-3/h13-14H,4-12H2,1-3H3
InChIKeyORZVIQJQFNIVDJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.00
Rot. Bonds7

About methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate

methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate (PubChem CID 61030682) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate
PubChem CID61030682
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate
SMILESCCCCC1CCC(C(=O)N(C)CCC(=O)OC)CC1
InChIInChI=1S/C16H29NO3/c1-4-5-6-13-7-9-14(10-8-13)16(19)17(2)12-11-15(18)20-3/h13-14H,4-12H2,1-3H3
InChIKeyORZVIQJQFNIVDJ-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate 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

4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 55207954
N-(2-bromopropyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 80665597
N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 113476620
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316
methyl 8-[4-(2-methoxy-2-oxoethyl)cyclohexyl]octanoate
CID 4068552
methyl 3-[decanoyl(methyl)amino]propanoate
CID 54979768
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
1-(4-butylcyclohexyl)-2-methoxyethanone
CID 115783287
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
4-acetyloxybutyl 4-butylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-pentylcyclohexane-1-carboxylate;4-acetyloxybutyl 4-propylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-butylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-pentylcyclohexane-1-carboxylate;2-acetyloxyethyl 4-propylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-butylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-pentylcyclohexane-1-carboxylate;6-acetyloxyhexyl 4-propylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-butylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-pentylcyclohexane-1-carboxylate;(4-methoxy-4-oxobutyl) 4-propylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-butylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-pentylcyclohexane-1-carboxylate;(6-methoxy-6-oxohexyl) 4-propylcyclohexane-1-carboxylate
CID 159544864
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate (CID 61030682) is methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate is CCCCC1CCC(C(=O)N(C)CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate?
The InChIKey is ORZVIQJQFNIVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-5-6-13-7-9-14(10-8-13)16(19)17(2)12-11-15(18)20-3/h13-14H,4-12H2,1-3H3.
What are the key properties of methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate?
methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate has a molecular weight of 283.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate is sourced from PubChem (CID 61030682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).