4-[(2-amino-3-hydroxybutyl)amino]benzamide

C11H17N3O2 — CID 64541293

IUPAC4-[(2-amino-3-hydroxybutyl)amino]benzamide
SMILESCC(O)C(N)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H17N3O2/c1-7(15)10(12)6-14-9-4-2-8(3-5-9)11(13)16/h2-5,7,10,14-15H,6,12H2,1H3,(H2,13,16)
InChIKeySPYPTAVQTMFAGW-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.09
Rot. Bonds5

About 4-[(2-amino-3-hydroxybutyl)amino]benzamide

4-[(2-amino-3-hydroxybutyl)amino]benzamide (PubChem CID 64541293) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2-amino-3-hydroxybutyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-amino-3-hydroxybutyl)amino]benzamide
PubChem CID64541293
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(2-amino-3-hydroxybutyl)amino]benzamide
SMILESCC(O)C(N)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H17N3O2/c1-7(15)10(12)6-14-9-4-2-8(3-5-9)11(13)16/h2-5,7,10,14-15H,6,12H2,1H3,(H2,13,16)
InChIKeySPYPTAVQTMFAGW-UHFFFAOYSA-N
XLogP-0.09
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
4-(2-methylpentylamino)benzamide
CID 43201058
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
CID 60897902
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
CID 64539180
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
CID 60876825
3-[(4-carbamoylanilino)methyl]pentanoic acid
CID 81065263
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
CID 60898863
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990
4-[(2-amino-3-hydroxybutyl)amino]-2-methylbenzonitrile
CID 81279522
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
2-[(2-amino-3-hydroxybutyl)amino]-4-bromobenzamide
CID 114905562

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-hydroxybutyl)amino]benzamide?
The IUPAC name of 4-[(2-amino-3-hydroxybutyl)amino]benzamide (CID 64541293) is 4-[(2-amino-3-hydroxybutyl)amino]benzamide.
What is the SMILES notation for 4-[(2-amino-3-hydroxybutyl)amino]benzamide?
The canonical SMILES for 4-[(2-amino-3-hydroxybutyl)amino]benzamide is CC(O)C(N)CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-amino-3-hydroxybutyl)amino]benzamide?
The InChIKey is SPYPTAVQTMFAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(15)10(12)6-14-9-4-2-8(3-5-9)11(13)16/h2-5,7,10,14-15H,6,12H2,1H3,(H2,13,16).
What are the key properties of 4-[(2-amino-3-hydroxybutyl)amino]benzamide?
4-[(2-amino-3-hydroxybutyl)amino]benzamide has a molecular weight of 223.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-hydroxybutyl)amino]benzamide is sourced from PubChem (CID 64541293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).