3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide

C14H28N2O2 — CID 106135794

IUPAC3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)16-9-8-13(18)15-10-11-4-6-12(17)7-5-11/h11-12,16-17H,4-10H2,1-3H3,(H,15,18)
InChIKeyDGZKBEHBKCTMFN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds5

About 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide

3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide (PubChem CID 106135794) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
PubChem CID106135794
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)16-9-8-13(18)15-10-11-4-6-12(17)7-5-11/h11-12,16-17H,4-10H2,1-3H3,(H,15,18)
InChIKeyDGZKBEHBKCTMFN-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 106133439
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
CID 106135446
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide (CID 106135794) is 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide is CC(C)(C)NCCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is DGZKBEHBKCTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)16-9-8-13(18)15-10-11-4-6-12(17)7-5-11/h11-12,16-17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide?
3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 106135794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).