N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide

C15H30N2O2 — CID 65116446

IUPACN-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
SMILESCC1CCC(O)(CNC(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-11-6-8-15(19,9-7-11)10-16-12(2)13(18)17-14(3,4)5/h11-12,16,19H,6-10H2,1-5H3,(H,17,18)
InChIKeyWOVFMYUMJRXWJY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds4

About N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide

N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide (PubChem CID 65116446) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
PubChem CID65116446
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
SMILESCC1CCC(O)(CNC(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-11-6-8-15(19,9-7-11)10-16-12(2)13(18)17-14(3,4)5/h11-12,16,19H,6-10H2,1-5H3,(H,17,18)
InChIKeyWOVFMYUMJRXWJY-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
N-tert-butyl-2-[(1-ethylcyclobutyl)methylamino]propanamide
CID 113252651
N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 105416383
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-methylpropanamide
CID 65118871
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile
CID 65116354
1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 113489875
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65119708
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
5-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 107706669
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
N-tert-butyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propanamide
CID 79358046
N-carbamoyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]propanamide
CID 65120634

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide (CID 65116446) is N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide is CC1CCC(O)(CNC(C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide?
The InChIKey is WOVFMYUMJRXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11-6-8-15(19,9-7-11)10-16-12(2)13(18)17-14(3,4)5/h11-12,16,19H,6-10H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide?
N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide has a molecular weight of 270.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide is sourced from PubChem (CID 65116446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).