3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide

C13H26N2O2 — CID 54927744

IUPAC3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide
SMILESCC(C)(C)NCCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-8-7-12(17)15-10-5-4-6-11(16)9-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyBZJOZKGLCTZHTE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.18
Rot. Bonds4

About 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide

3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide (PubChem CID 54927744) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide
PubChem CID54927744
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide
SMILESCC(C)(C)NCCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-8-7-12(17)15-10-5-4-6-11(16)9-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyBZJOZKGLCTZHTE-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide
CID 54928774
N-(3-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604612
3-(tert-butylamino)-N-(2-methylcyclopropyl)propanamide
CID 62398948
5-amino-N-(3-hydroxycyclohexyl)-4-methylpentanamide
CID 82012457
N-(3-hydroxycyclohexyl)-2-methylsulfanylacetamide
CID 131160438
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
CID 95358222
N-(3-hydroxycyclohexyl)-3-piperidin-4-yloxypropanamide
CID 55251549
N-(3-hydroxycyclopentyl)butanamide
CID 155457258
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide
CID 79400913

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide (CID 54927744) is 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide is CC(C)(C)NCCC(=O)NC1CCCC(O)C1.
What is the InChIKey of 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide?
The InChIKey is BZJOZKGLCTZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)14-8-7-12(17)15-10-5-4-6-11(16)9-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide?
3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 54927744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).