propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate

C16H29NO3 — CID 56551069

IUPACpropan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
SMILESCCCCC1CCC(C(=O)NCC(=O)OC(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-4-5-6-13-7-9-14(10-8-13)16(19)17-11-15(18)20-12(2)3/h12-14H,4-11H2,1-3H3,(H,17,19)
InChIKeyJWAFYJBVMHWKKV-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.05
Rot. Bonds7

About propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate

propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate (PubChem CID 56551069) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
PubChem CID56551069
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namepropan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
SMILESCCCCC1CCC(C(=O)NCC(=O)OC(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-4-5-6-13-7-9-14(10-8-13)16(19)17-11-15(18)20-12(2)3/h12-14H,4-11H2,1-3H3,(H,17,19)
InChIKeyJWAFYJBVMHWKKV-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(2-bromo-3-ethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106288113
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate (CID 56551069) is propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate is CCCCC1CCC(C(=O)NCC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate?
The InChIKey is JWAFYJBVMHWKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-5-6-13-7-9-14(10-8-13)16(19)17-11-15(18)20-12(2)3/h12-14H,4-11H2,1-3H3,(H,17,19).
What are the key properties of propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate?
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate has a molecular weight of 283.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate is sourced from PubChem (CID 56551069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).