4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide

C14H21N3O3 — CID 106134450

IUPAC4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
SMILESCC(O)CCCNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O3/c1-10(18)3-2-8-16-13(19)9-17-14(20)11-4-6-12(15)7-5-11/h4-7,10,18H,2-3,8-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyOVNAUUDXJWBZOD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.28
Rot. Bonds7

About 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide

4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide (PubChem CID 106134450) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
PubChem CID106134450
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
SMILESCC(O)CCCNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O3/c1-10(18)3-2-8-16-13(19)9-17-14(20)11-4-6-12(15)7-5-11/h4-7,10,18H,2-3,8-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyOVNAUUDXJWBZOD-UHFFFAOYSA-N
XLogP0.28
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
CID 107300460
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
4-amino-N-[2-(2-methylsulfanylethylamino)-2-oxoethyl]benzamide
CID 60666348
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
CID 107300353
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide (CID 106134450) is 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide is CC(O)CCCNC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
The InChIKey is OVNAUUDXJWBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(18)3-2-8-16-13(19)9-17-14(20)11-4-6-12(15)7-5-11/h4-7,10,18H,2-3,8-9,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 106134450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).