3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide

C15H28N2O2 — CID 119336162

IUPAC3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC1CCC(N(CC2CCCO2)C(=O)CCN)CC1
InChIInChI=1S/C15H28N2O2/c1-12-4-6-13(7-5-12)17(15(18)8-9-16)11-14-3-2-10-19-14/h12-14H,2-11,16H2,1H3
InChIKeyNYDHTHHMXITBSV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds5

About 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide

3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 119336162) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID119336162
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC1CCC(N(CC2CCCO2)C(=O)CCN)CC1
InChIInChI=1S/C15H28N2O2/c1-12-4-6-13(7-5-12)17(15(18)8-9-16)11-14-3-2-10-19-14/h12-14H,2-11,16H2,1H3
InChIKeyNYDHTHHMXITBSV-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119805627
4-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)pentanamide;hydrochloride
CID 120563456
2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119805648
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119805657
N-(2-aminoethyl)-N-cyclobutyl-3-(oxolan-2-yl)propanamide
CID 102874215
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805637
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119336171
4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 54873321
N-(2-aminoethyl)-N-cyclopropyl-3-(oxan-2-yl)propanamide
CID 63952702
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
2-[cyclopropyl(ethyl)amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025370
2-[ethyl-[3-[[(4-methylcyclohexyl)-(oxolan-2-ylmethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025324

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide (CID 119336162) is 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide is CC1CCC(N(CC2CCCO2)C(=O)CCN)CC1.
What is the InChIKey of 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is NYDHTHHMXITBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-4-6-13(7-5-12)17(15(18)8-9-16)11-14-3-2-10-19-14/h12-14H,2-11,16H2,1H3.
What are the key properties of 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide?
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 119336162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).