N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide

C13H26N2O2 — CID 114148146

IUPACN-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-6-13(17)15-9-11-4-3-5-12(16)8-11/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyOVCPNSXNVADSQQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds6

About N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide

N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 114148146) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID114148146
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-6-13(17)15-9-11-4-3-5-12(16)8-11/h10-12,14,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyOVCPNSXNVADSQQ-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
3-ethylsulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460060
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 111459727
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 55012121
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
CID 103908789

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide (CID 114148146) is N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is OVCPNSXNVADSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-7-6-13(17)15-9-11-4-3-5-12(16)8-11/h10-12,14,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 114148146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).