N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide

C16H20N4O2 — CID 110443115

IUPACN-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCCCn1ccnc1
InChIInChI=1S/C16H20N4O2/c21-15(12-19-16(22)14-6-2-1-3-7-14)18-8-4-5-10-20-11-9-17-13-20/h1-3,6-7,9,11,13H,4-5,8,10,12H2,(H,18,21)(H,19,22)
InChIKeyKHWYQFZEYIVJIX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.21
Rot. Bonds8

About N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide

N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide (PubChem CID 110443115) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
PubChem CID110443115
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCCCn1ccnc1
InChIInChI=1S/C16H20N4O2/c21-15(12-19-16(22)14-6-2-1-3-7-14)18-8-4-5-10-20-11-9-17-13-20/h1-3,6-7,9,11,13H,4-5,8,10,12H2,(H,18,21)(H,19,22)
InChIKeyKHWYQFZEYIVJIX-UHFFFAOYSA-N
XLogP1.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
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CID 35513194
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide (CID 110443115) is N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCCCn1ccnc1.
What is the InChIKey of N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide?
The InChIKey is KHWYQFZEYIVJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(12-19-16(22)14-6-2-1-3-7-14)18-8-4-5-10-20-11-9-17-13-20/h1-3,6-7,9,11,13H,4-5,8,10,12H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide?
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 110443115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).