N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide

C13H26N2O2 — CID 114147779

IUPACN-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-12(17)9-14-8-10-5-4-6-11(16)7-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyGFBMPKGIQAKGNO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds4

About N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide

N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide (PubChem CID 114147779) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide
PubChem CID114147779
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-12(17)9-14-8-10-5-4-6-11(16)7-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyGFBMPKGIQAKGNO-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60856288
2-[(3-hydroxycyclobutyl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 66005947
4-[(3-hydroxycyclohexyl)methylamino]-3-methylbut-2-enoic acid
CID 106137059
tert-butyl 3-[(3-hydroxycyclohexyl)methylamino]azetidine-1-carboxylate
CID 102672364
2-(cyclopentylmethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 61486055
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 106132313
N-tert-butyl-2-(oxan-2-ylmethylamino)acetamide
CID 60697952
N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81038397
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 106135108

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide (CID 114147779) is N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide is CC(C)(C)NC(=O)CNCC1CCCC(O)C1.
What is the InChIKey of N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide?
The InChIKey is GFBMPKGIQAKGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)15-12(17)9-14-8-10-5-4-6-11(16)7-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide?
N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide is sourced from PubChem (CID 114147779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).