N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide

C14H28N2O2 — CID 64910772

IUPACN-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-11(2)15-9-5-8-14(18)16-10-12-6-3-4-7-13(12)17/h11-13,15,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyIGDAWEPOIADQOO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds7

About N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide

N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide (PubChem CID 64910772) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
PubChem CID64910772
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C14H28N2O2/c1-11(2)15-9-5-8-14(18)16-10-12-6-3-4-7-13(12)17/h11-13,15,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyIGDAWEPOIADQOO-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 55012121
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499
N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 54880970
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
N-[(2-hydroxycyclohexyl)methyl]-3-pyrrol-1-ylbutanamide
CID 102554678
(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide
CID 124858946
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
CID 63297357

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide (CID 64910772) is N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is IGDAWEPOIADQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)15-9-5-8-14(18)16-10-12-6-3-4-7-13(12)17/h11-13,15,17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide?
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 64910772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).