cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide

C17H32N2O2 — CID 144603348

IUPACcis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide
SMILESCCCCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C(C)=O
InChIInChI=1S/C17H32N2O2/c1-4-5-12-19(3)13-8-11-18-17(21)16-10-7-6-9-15(16)14(2)20/h15-16H,4-13H2,1-3H3,(H,18,21)/t15-,16-/m1/s1
InChIKeyBTJGJHQJVJEKCQ-HZPDHXFCSA-N
MW296.45 g/mol
LogP2.62
Rot. Bonds9

About cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide

cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide (PubChem CID 144603348) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide
PubChem CID144603348
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namecis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide
SMILESCCCCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C(C)=O
InChIInChI=1S/C17H32N2O2/c1-4-5-12-19(3)13-8-11-18-17(21)16-10-7-6-9-15(16)14(2)20/h15-16H,4-13H2,1-3H3,(H,18,21)/t15-,16-/m1/s1
InChIKeyBTJGJHQJVJEKCQ-HZPDHXFCSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 138527082
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide
CID 58751710
trans-(1S,2S)-2-(3-butoxypropylcarbamoyl)cyclohexane-1-carboxylate
CID 7299891
2-(3-dodecoxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 154136601
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
CID 101389014
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106047668
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
CID 111779651
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide (CID 144603348) is cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide is CCCCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C(C)=O.
What is the InChIKey of cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
The InChIKey is BTJGJHQJVJEKCQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-5-12-19(3)13-8-11-18-17(21)16-10-7-6-9-15(16)14(2)20/h15-16H,4-13H2,1-3H3,(H,18,21)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-acetyl-N-[3-[butyl(methyl)amino]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 144603348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).