N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide

C16H25N3O2 — CID 120653741

IUPACN-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
SMILESCCN[C@H](C)CNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-3-17-13(2)12-19-15(20)10-7-11-18-16(21)14-8-5-4-6-9-14/h4-6,8-9,13,17H,3,7,10-12H2,1-2H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyLBXPATAWTVHPIP-CYBMUJFWSA-N
MW291.39 g/mol
LogP1.31
Rot. Bonds9

About N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide

N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide (PubChem CID 120653741) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
PubChem CID120653741
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
SMILESCCN[C@H](C)CNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-3-17-13(2)12-19-15(20)10-7-11-18-16(21)14-8-5-4-6-9-14/h4-6,8-9,13,17H,3,7,10-12H2,1-2H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyLBXPATAWTVHPIP-CYBMUJFWSA-N
XLogP1.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
propan-2-yl 3-(4-benzamidobutanoylamino)propanoate
CID 51256546
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
N-(4-oxopentyl)benzamide
CID 10798281
N-(5-methyl-4-methylidenehexyl)benzamide
CID 24750673
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide (CID 120653741) is N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide is CCN[C@H](C)CNC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide?
The InChIKey is LBXPATAWTVHPIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-17-13(2)12-19-15(20)10-7-11-18-16(21)14-8-5-4-6-9-14/h4-6,8-9,13,17H,3,7,10-12H2,1-2H3,(H,18,21)(H,19,20)/t13-/m1/s1.
What are the key properties of N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide?
N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 120653741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).