N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane

C22H43N3O3 — CID 155714678

IUPACN-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane
SMILESCCC.CCc1ccc(NC(=O)[C@H](C)NC(=O)CNC(=O)CCC(C)C)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H29N3O3.C3H8.3H2/c1-5-15-7-9-16(10-8-15)22-19(25)14(4)21-18(24)12-20-17(23)11-6-13(2)3;1-3-2;;;/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24)(H,22,25);3H2,1-2H3;3*1H/t14-;;;;/m0..../s1
InChIKeyWLWVZJLYEVYTNF-XCYGSCDUSA-N
MW397.60 g/mol
LogP4.40
Rot. Bonds9

About N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane

N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane (PubChem CID 155714678) has the molecular formula C22H43N3O3 and a molecular weight of 397.60 g/mol. Its IUPAC name is N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane
PubChem CID155714678
Molecular FormulaC22H43N3O3
Molecular Weight397.60 g/mol
Exact Mass397.33
IUPAC NameN-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane
SMILESCCC.CCc1ccc(NC(=O)[C@H](C)NC(=O)CNC(=O)CCC(C)C)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H29N3O3.C3H8.3H2/c1-5-15-7-9-16(10-8-15)22-19(25)14(4)21-18(24)12-20-17(23)11-6-13(2)3;1-3-2;;;/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24)(H,22,25);3H2,1-2H3;3*1H/t14-;;;;/m0..../s1
InChIKeyWLWVZJLYEVYTNF-XCYGSCDUSA-N
XLogP4.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane with MolForge

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Related Compounds

N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
CID 155704657
tert-butyl N-[2-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 176555922
2-[[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]propanamide;propane
CID 177242107
N-[2-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methyl-4-(phosphanylmethoxy)pentanamide
CID 166957884
ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen
CID 142243925
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane
CID 177324466
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
7-methyl-N-[2-[[2-[4-(2-methylpropyl)anilino]-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 146406468
prop-2-enyl N-[2-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 126513725
N-[1-[[2-(4-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-N'-methyl-N'-(3-methylbutyl)pentanediamide
CID 178093759
2-but-2-enylsulfonyl-N-(4-ethylphenyl)propanamide
CID 76865501

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane?
The IUPAC name of N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane (CID 155714678) is N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane.
What is the SMILES notation for N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane?
The canonical SMILES for N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane is CCC.CCc1ccc(NC(=O)[C@H](C)NC(=O)CNC(=O)CCC(C)C)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane?
The InChIKey is WLWVZJLYEVYTNF-XCYGSCDUSA-N. The full InChI is InChI=1S/C19H29N3O3.C3H8.3H2/c1-5-15-7-9-16(10-8-15)22-19(25)14(4)21-18(24)12-20-17(23)11-6-13(2)3;1-3-2;;;/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24)(H,22,25);3H2,1-2H3;3*1H/t14-;;;;/m0..../s1.
What are the key properties of N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane?
N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane has a molecular weight of 397.60 g/mol, XLogP of 4.40, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide;molecular hydrogen;propane is sourced from PubChem (CID 155714678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).