4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide

C14H19N3O2 — CID 107074624

IUPAC4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)9-17(7-3-6-15)14(19)11-4-5-12(16)13(18)8-11/h4-5,8,10,18H,3,7,9,16H2,1-2H3
InChIKeySSPMVCAQFUZMQF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds5

About 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide

4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide (PubChem CID 107074624) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
PubChem CID107074624
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)9-17(7-3-6-15)14(19)11-4-5-12(16)13(18)8-11/h4-5,8,10,18H,3,7,9,16H2,1-2H3
InChIKeySSPMVCAQFUZMQF-UHFFFAOYSA-N
XLogP1.99
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60699382
3-amino-N-(2-cyanoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
CID 61116424
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
4-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60659981
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
N-(2-cyanoethyl)-N-(2-methylpropyl)-4-(propylamino)benzamide
CID 62180118

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide (CID 107074624) is 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide is CC(C)CN(CCC#N)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide?
The InChIKey is SSPMVCAQFUZMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)9-17(7-3-6-15)14(19)11-4-5-12(16)13(18)8-11/h4-5,8,10,18H,3,7,9,16H2,1-2H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide?
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 107074624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).