N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

C18H34N2O3 — CID 110003474

IUPACN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)CC1CCCCC1O)C(C)C
InChIInChI=1S/C18H34N2O3/c1-12(2)10-16(22)19-17(13(3)4)18(23)20(5)11-14-8-6-7-9-15(14)21/h12-15,17,21H,6-11H2,1-5H3,(H,19,22)
InChIKeyCSZSFYBJMOKILH-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.18
Rot. Bonds7

About N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide

N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 110003474) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
PubChem CID110003474
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)N(C)CC1CCCCC1O)C(C)C
InChIInChI=1S/C18H34N2O3/c1-12(2)10-16(22)19-17(13(3)4)18(23)20(5)11-14-8-6-7-9-15(14)21/h12-15,17,21H,6-11H2,1-5H3,(H,19,22)
InChIKeyCSZSFYBJMOKILH-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 109400064
N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 87023576
N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 110898761
3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011987
N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110003601
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(oxan-4-yl)ethyl]urea
CID 110012762
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
N-[1-[cyclohexylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 43057458
2-[[bis(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62609389
N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 55827200
(E)-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 110003942
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide (CID 110003474) is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is CC(C)CC(=O)NC(C(=O)N(C)CC1CCCCC1O)C(C)C.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is CSZSFYBJMOKILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-12(2)10-16(22)19-17(13(3)4)18(23)20(5)11-14-8-6-7-9-15(14)21/h12-15,17,21H,6-11H2,1-5H3,(H,19,22).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide?
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 326.48 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 110003474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).