ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen

C17H34N2O — CID 142243925

IUPACethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen
SMILESCC.CCc1ccc(NC(=O)C(CC(C)C)NC)cc1.[H][H].[H][H]
InChIInChI=1S/C15H24N2O.C2H6.2H2/c1-5-12-6-8-13(9-7-12)17-15(18)14(16-4)10-11(2)3;1-2;;/h6-9,11,14,16H,5,10H2,1-4H3,(H,17,18);1-2H3;2*1H
InChIKeyNFCPFCRQFXLGIZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.34
Rot. Bonds6

About ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen

ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen (PubChem CID 142243925) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen
PubChem CID142243925
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Nameethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen
SMILESCC.CCc1ccc(NC(=O)C(CC(C)C)NC)cc1.[H][H].[H][H]
InChIInChI=1S/C15H24N2O.C2H6.2H2/c1-5-12-6-8-13(9-7-12)17-15(18)14(16-4)10-11(2)3;1-2;;/h6-9,11,14,16H,5,10H2,1-4H3,(H,17,18);1-2H3;2*1H
InChIKeyNFCPFCRQFXLGIZ-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-ethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956369
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
N-(2,6-dimethylphenyl)-4-methyl-2-(methylamino)pentanamide
CID 110838096
2-[4-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoyl]amino]phenyl]acetic acid
CID 54410070
N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane
CID 155714678
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
1-(4-ethylphenyl)-3-methylurea
CID 54250791
2-but-2-enylsulfonyl-N-(4-ethylphenyl)propanamide
CID 76865501
3-cyano-N-(4-ethylphenyl)-5-methylhexanamide
CID 112516654

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen?
The IUPAC name of ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen (CID 142243925) is ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen?
The canonical SMILES for ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen is CC.CCc1ccc(NC(=O)C(CC(C)C)NC)cc1.[H][H].[H][H].
What is the InChIKey of ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen?
The InChIKey is NFCPFCRQFXLGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C2H6.2H2/c1-5-12-6-8-13(9-7-12)17-15(18)14(16-4)10-11(2)3;1-2;;/h6-9,11,14,16H,5,10H2,1-4H3,(H,17,18);1-2H3;2*1H.
What are the key properties of ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen?
ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen has a molecular weight of 282.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen is sourced from PubChem (CID 142243925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).