2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide

C12H24N2O3 — CID 81102329

IUPAC2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H24N2O3/c1-9-4-3-5-12(16,6-9)8-14-11(15)10(13)7-17-2/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyPWTLBRVOPOZTCZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds5

About 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide

2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide (PubChem CID 81102329) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
PubChem CID81102329
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H24N2O3/c1-9-4-3-5-12(16,6-9)8-14-11(15)10(13)7-17-2/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyPWTLBRVOPOZTCZ-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 65119668
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
CID 107472285
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide (CID 81102329) is 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide is COCC(N)C(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide?
The InChIKey is PWTLBRVOPOZTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9-4-3-5-12(16,6-9)8-14-11(15)10(13)7-17-2/h9-10,16H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide?
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 81102329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).