ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide

C14H22N2O2 — CID 143975771

IUPACethane;3-(formamidomethyl)-N-propan-2-ylbenzamide
SMILESCC.CC(C)NC(=O)c1cccc(CNC=O)c1
InChIInChI=1S/C12H16N2O2.C2H6/c1-9(2)14-12(16)11-5-3-4-10(6-11)7-13-8-15;1-2/h3-6,8-9H,7H2,1-2H3,(H,13,15)(H,14,16);1-2H3
InChIKeyNFXFRYJRBUKRSI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds5

About ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide

ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide (PubChem CID 143975771) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Nameethane;3-(formamidomethyl)-N-propan-2-ylbenzamide
PubChem CID143975771
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethane;3-(formamidomethyl)-N-propan-2-ylbenzamide
SMILESCC.CC(C)NC(=O)c1cccc(CNC=O)c1
InChIInChI=1S/C12H16N2O2.C2H6/c1-9(2)14-12(16)11-5-3-4-10(6-11)7-13-8-15;1-2/h3-6,8-9H,7H2,1-2H3,(H,13,15)(H,14,16);1-2H3
InChIKeyNFXFRYJRBUKRSI-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide
CID 165121846
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3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319
N-ethyl-3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide;hydroiodide
CID 111126010
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CID 158813508
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
CID 891835
3-[3-(methanesulfonamido)propyl]-N-propan-2-ylbenzamide
CID 173042024
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
benzyl 4-[[[3-(propan-2-ylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxylate
CID 166210972

Frequently Asked Questions

What is the IUPAC name of ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide?
The IUPAC name of ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide (CID 143975771) is ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide is CC.CC(C)NC(=O)c1cccc(CNC=O)c1.
What is the InChIKey of ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide?
The InChIKey is NFXFRYJRBUKRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C2H6/c1-9(2)14-12(16)11-5-3-4-10(6-11)7-13-8-15;1-2/h3-6,8-9H,7H2,1-2H3,(H,13,15)(H,14,16);1-2H3.
What are the key properties of ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide?
ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(formamidomethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 143975771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).