2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide

C14H28N2O2 — CID 111464650

IUPAC2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(C)CCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16(3)10-9-15-13(17)11-14(18)7-5-4-6-8-14/h12,18H,4-11H2,1-3H3,(H,15,17)
InChIKeyFVFLCISUMWGQBE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide

2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide (PubChem CID 111464650) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
PubChem CID111464650
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(C)CCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16(3)10-9-15-13(17)11-14(18)7-5-4-6-8-14/h12,18H,4-11H2,1-3H3,(H,15,17)
InChIKeyFVFLCISUMWGQBE-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
N-[2-[butyl(methyl)amino]ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538536
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240571
N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111560761
N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537332
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104207
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331994
(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate
CID 10923190
2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380808

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide (CID 111464650) is 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide is CC(C)N(C)CCNC(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is FVFLCISUMWGQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)16(3)10-9-15-13(17)11-14(18)7-5-4-6-8-14/h12,18H,4-11H2,1-3H3,(H,15,17).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 111464650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).