N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide

C15H25N3O — CID 24768563

IUPACN-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide
SMILESC[C@H](CCNCCCCN)NC(=O)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyUWDXTOVSVLCTLF-CYBMUJFWSA-N
MW263.38 g/mol
LogP1.52
Rot. Bonds9

About N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide

N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide (PubChem CID 24768563) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide
PubChem CID24768563
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide
SMILESC[C@H](CCNCCCCN)NC(=O)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyUWDXTOVSVLCTLF-CYBMUJFWSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.52
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-aminobutan-2-yl)benzamide
CID 62087210
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
N-(12-aminododecyl)-2-benzamidobutanediamide
CID 502144
3-benzamidobutyl benzoate
CID 151154190
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
CID 20646768
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide (CID 24768563) is N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide is C[C@H](CCNCCCCN)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide?
The InChIKey is UWDXTOVSVLCTLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide?
N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(4-aminobutylamino)butan-2-yl]benzamide is sourced from PubChem (CID 24768563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).