ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide

C22H37N3O3 — CID 165121846

IUPACethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide
SMILESCC.CC(C)NC(=O)C1CCCCC1.CNC(=O)c1cccc(CNC=O)c1
InChIInChI=1S/C10H12N2O2.C10H19NO.C2H6/c1-11-10(14)9-4-2-3-8(5-9)6-12-7-13;1-8(2)11-10(12)9-6-4-3-5-7-9;1-2/h2-5,7H,6H2,1H3,(H,11,14)(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyRWPDJOPTTNMPGF-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.41
Rot. Bonds6

About ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide

ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide (PubChem CID 165121846) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound Nameethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide
PubChem CID165121846
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Nameethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide
SMILESCC.CC(C)NC(=O)C1CCCCC1.CNC(=O)c1cccc(CNC=O)c1
InChIInChI=1S/C10H12N2O2.C10H19NO.C2H6/c1-11-10(14)9-4-2-3-8(5-9)6-12-7-13;1-8(2)11-10(12)9-6-4-3-5-7-9;1-2/h2-5,7H,6H2,1H3,(H,11,14)(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);1-2H3
InChIKeyRWPDJOPTTNMPGF-UHFFFAOYSA-N
XLogP3.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide
CID 143975771
1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide
CID 165121814
3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide
CID 9327271
N'-(cyclohexanecarbonyl)-3-(methylsulfanylmethyl)benzohydrazide
CID 9327285
3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111631963
N-[[3-(methylcarbamoyl)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55986573
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379

Frequently Asked Questions

What is the IUPAC name of ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide (CID 165121846) is ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide is CC.CC(C)NC(=O)C1CCCCC1.CNC(=O)c1cccc(CNC=O)c1.
What is the InChIKey of ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is RWPDJOPTTNMPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C10H19NO.C2H6/c1-11-10(14)9-4-2-3-8(5-9)6-12-7-13;1-8(2)11-10(12)9-6-4-3-5-7-9;1-2/h2-5,7H,6H2,1H3,(H,11,14)(H,12,13);8-9H,3-7H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide?
ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 391.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 165121846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).