N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide

C19H34N2O2 — CID 129426674

IUPACN-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(C)=O)[C@H](C)C2)C[C@H]1C
InChIInChI=1S/C19H34N2O2/c1-12-9-16(5-7-18(12)20-14(3)22)11-17-6-8-19(13(2)10-17)21-15(4)23/h12-13,16-19H,5-11H2,1-4H3,(H,20,22)(H,21,23)/t12-,13-,16-,17+,18+,19-/m1/s1
InChIKeyPSNMSNPGJXNYAJ-HWEKDVCVSA-N
MW322.49 g/mol
LogP3.26
Rot. Bonds4

About N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide

N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide (PubChem CID 129426674) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide
PubChem CID129426674
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(C)=O)[C@H](C)C2)C[C@H]1C
InChIInChI=1S/C19H34N2O2/c1-12-9-16(5-7-18(12)20-14(3)22)11-17-6-8-19(13(2)10-17)21-15(4)23/h12-13,16-19H,5-11H2,1-4H3,(H,20,22)(H,21,23)/t12-,13-,16-,17+,18+,19-/m1/s1
InChIKeyPSNMSNPGJXNYAJ-HWEKDVCVSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

2-chloro-N-[(1S,2R,4S)-4-[[(1S,3R,4R)-4-[(2-chloroacetyl)amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide
CID 124925146
(Z)-3-amino-N-[4-[[4-[[(Z)-3-aminobut-2-enoyl]amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]but-2-enamide
CID 70503053
3-methyl-N-[2-methyl-4-[[(1S,3R)-3-methyl-4-[(3-methylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 170027070
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide
CID 166978311
N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 144967477
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
N-[(1R,2S)-2-piperidin-4-ylcyclopropyl]acetamide
CID 131008531
trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide
CID 71513961
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]acetamide
CID 112541640

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide (CID 129426674) is N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide is CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(C)=O)[C@H](C)C2)C[C@H]1C.
What is the InChIKey of N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide?
The InChIKey is PSNMSNPGJXNYAJ-HWEKDVCVSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-12-9-16(5-7-18(12)20-14(3)22)11-17-6-8-19(13(2)10-17)21-15(4)23/h12-13,16-19H,5-11H2,1-4H3,(H,20,22)(H,21,23)/t12-,13-,16-,17+,18+,19-/m1/s1.
What are the key properties of N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide?
N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide has a molecular weight of 322.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 129426674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).