N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide

C14H21N3O3 — CID 143526103

IUPACN-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide
SMILESNC(=O)C(N)CCCCNC(=O)c1cccc(CO)c1
InChIInChI=1S/C14H21N3O3/c15-12(13(16)19)6-1-2-7-17-14(20)11-5-3-4-10(8-11)9-18/h3-5,8,12,18H,1-2,6-7,9,15H2,(H2,16,19)(H,17,20)
InChIKeyIMZZWGSPXKBHMM-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.11
Rot. Bonds8

About N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide

N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide (PubChem CID 143526103) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide
PubChem CID143526103
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide
SMILESNC(=O)C(N)CCCCNC(=O)c1cccc(CO)c1
InChIInChI=1S/C14H21N3O3/c15-12(13(16)19)6-1-2-7-17-14(20)11-5-3-4-10(8-11)9-18/h3-5,8,12,18H,1-2,6-7,9,15H2,(H2,16,19)(H,17,20)
InChIKeyIMZZWGSPXKBHMM-UHFFFAOYSA-N
XLogP-0.11
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-5,6-diamino-6-oxohexyl]benzamide;ethane;methoxyethane
CID 90715248
6-[(3-acetylbenzoyl)amino]-2-aminohexanoic acid
CID 76799570
N-(5-amino-5-oxopentyl)-3-(chloromethyl)benzamide
CID 106234962
methyl 3-[(4S)-4,5-diamino-5-oxopentyl]benzoate;hydrochloride
CID 69266366
3-(aminomethyl)-N-(3-formamidopropyl)benzamide
CID 82547191
3-(hydroxymethyl)-N-methoxybenzamide
CID 130675925
N-[(5S)-5-amino-6-oxo-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexyl]-3-fluorobenzamide
CID 11502070
carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
CID 157229894
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119235172
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide?
The IUPAC name of N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide (CID 143526103) is N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide?
The canonical SMILES for N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide is NC(=O)C(N)CCCCNC(=O)c1cccc(CO)c1.
What is the InChIKey of N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide?
The InChIKey is IMZZWGSPXKBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-12(13(16)19)6-1-2-7-17-14(20)11-5-3-4-10(8-11)9-18/h3-5,8,12,18H,1-2,6-7,9,15H2,(H2,16,19)(H,17,20).
What are the key properties of N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide?
N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of -0.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide is sourced from PubChem (CID 143526103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).