N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide

C17H16N2O2 — CID 60813882

IUPACN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
SMILESCc1cc(C#CCN)ccc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O2/c1-12-11-13(3-2-10-18)4-9-16(12)19-17(21)14-5-7-15(20)8-6-14/h4-9,11,20H,10,18H2,1H3,(H,19,21)
InChIKeyKZCMBXKPOQPDHE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.26
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide (PubChem CID 60813882) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
PubChem CID60813882
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
SMILESCc1cc(C#CCN)ccc1NC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O2/c1-12-11-13(3-2-10-18)4-9-16(12)19-17(21)14-5-7-15(20)8-6-14/h4-9,11,20H,10,18H2,1H3,(H,19,21)
InChIKeyKZCMBXKPOQPDHE-UHFFFAOYSA-N
XLogP2.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60814218
methyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813432
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxypropanamide
CID 62589692
2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813431
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propan-2-yloxyacetamide
CID 112603664
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-tert-butylsulfanylacetamide
CID 60814387
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021948
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
CID 81268855

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide (CID 60813882) is N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide is Cc1cc(C#CCN)ccc1NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide?
The InChIKey is KZCMBXKPOQPDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-11-13(3-2-10-18)4-9-16(12)19-17(21)14-5-7-15(20)8-6-14/h4-9,11,20H,10,18H2,1H3,(H,19,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide?
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide is sourced from PubChem (CID 60813882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).