N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide

C17H27N3O2 — CID 119668614

IUPACN-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
SMILESCCCCC(CN)NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-2-3-10-15(13-18)20-16(21)11-7-12-19-17(22)14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyIDKUQDTUPRMILY-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.83
Rot. Bonds10

About N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide

N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide (PubChem CID 119668614) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
PubChem CID119668614
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
SMILESCCCCC(CN)NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C17H27N3O2/c1-2-3-10-15(13-18)20-16(21)11-7-12-19-17(22)14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyIDKUQDTUPRMILY-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.83
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-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
CID 65191645
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide
CID 87836455
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119665970
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide (CID 119668614) is N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide is CCCCC(CN)NC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide?
The InChIKey is IDKUQDTUPRMILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-3-10-15(13-18)20-16(21)11-7-12-19-17(22)14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide?
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 1.83, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 119668614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).