N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

C23H39N5O5 — CID 143937289

IUPACN-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCCCCNC(=O)c1ccc(NCCC)cc1.CNC(=O)CNC(=O)CCC(NC)C(=O)O
InChIInChI=1S/C14H22N2O.C9H17N3O4/c1-3-5-11-16-14(17)12-6-8-13(9-7-12)15-10-4-2;1-10-6(9(15)16)3-4-7(13)12-5-8(14)11-2/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);6,10H,3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyDURSOTCTTLNYLW-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.34
Rot. Bonds14

About N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (PubChem CID 143937289) has the molecular formula C23H39N5O5 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound NameN-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
PubChem CID143937289
Molecular FormulaC23H39N5O5
Molecular Weight465.60 g/mol
Exact Mass465.30
IUPAC NameN-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCCCCNC(=O)c1ccc(NCCC)cc1.CNC(=O)CNC(=O)CCC(NC)C(=O)O
InChIInChI=1S/C14H22N2O.C9H17N3O4/c1-3-5-11-16-14(17)12-6-8-13(9-7-12)15-10-4-2;1-10-6(9(15)16)3-4-7(13)12-5-8(14)11-2/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);6,10H,3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyDURSOTCTTLNYLW-UHFFFAOYSA-N
XLogP1.34
TPSA148.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 51.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-[2-[2-[2-[[(1S)-1-carboxy-4-[[1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[[4-(propylamino)benzoyl]amino]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-(methylamino)-5-oxopentanoic acid
CID 143937280
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
N-pentyl-4-(propylamino)benzamide
CID 62185567
N-[5-[[5-(methylamino)-6-oxoheptanoyl]amino]-6-methyliminoheptyl]-4-(propylamino)benzamide
CID 91547578
2-[[(4S)-4-carboxy-4-[[2-[2-[2-[[(4S)-4-carboxy-4-hydrazinylbutanoyl]amino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]-5-oxo-5-[2-[2-[2-oxo-2-[2-[[4-(propylamino)benzoyl]amino]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 143937243
(2S)-2-(methylamino)-5-oxo-5-(pentylamino)pentanoic acid
CID 90209237
5-(hexylamino)-2-(methylamino)-5-oxopentanoic acid
CID 168992251
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
(2S)-2-[3-[(4-fluorobenzoyl)amino]propanoylamino]hexanoic acid
CID 120614023
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817609

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The IUPAC name of N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (CID 143937289) is N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is CCCCNC(=O)c1ccc(NCCC)cc1.CNC(=O)CNC(=O)CCC(NC)C(=O)O.
What is the InChIKey of N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The InChIKey is DURSOTCTTLNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C9H17N3O4/c1-3-5-11-16-14(17)12-6-8-13(9-7-12)15-10-4-2;1-10-6(9(15)16)3-4-7(13)12-5-8(14)11-2/h6-9,15H,3-5,10-11H2,1-2H3,(H,16,17);6,10H,3-5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid has a molecular weight of 465.60 g/mol, XLogP of 1.34, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(propylamino)benzamide;2-(methylamino)-5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 143937289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).