2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide

C12H18N2O2 — CID 62657877

IUPAC2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-9(2)13-7-8-14-12(16)10-5-3-4-6-11(10)15/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyQDNKRJDPWGQEAR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds5

About 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide

2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62657877) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62657877
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-9(2)13-7-8-14-12(16)10-5-3-4-6-11(10)15/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyQDNKRJDPWGQEAR-UHFFFAOYSA-N
XLogP1.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
CID 17387279

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62657877) is 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide is CC(C)NCCNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is QDNKRJDPWGQEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)13-7-8-14-12(16)10-5-3-4-6-11(10)15/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62657877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).