4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide

C19H24N2O3 — CID 119328600

IUPAC4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-13(2)24-17-5-3-4-16(10-17)18(22)12-21-19(23)15-8-6-14(11-20)7-9-15/h3-10,13,18,22H,11-12,20H2,1-2H3,(H,21,23)
InChIKeyMSCGMKWAYDCUAI-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.40
Rot. Bonds7

About 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide

4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 119328600) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID119328600
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-13(2)24-17-5-3-4-16(10-17)18(22)12-21-19(23)15-8-6-14(11-20)7-9-15/h3-10,13,18,22H,11-12,20H2,1-2H3,(H,21,23)
InChIKeyMSCGMKWAYDCUAI-UHFFFAOYSA-N
XLogP2.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 111423693
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 111423702
4-[[[ethylamino-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109491402
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
CID 119335746
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111423771
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide
CID 120933679
3-[[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methyl]benzoic acid
CID 122031377
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide (CID 119328600) is 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1cccc(C(O)CNC(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is MSCGMKWAYDCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)24-17-5-3-4-16(10-17)18(22)12-21-19(23)15-8-6-14(11-20)7-9-15/h3-10,13,18,22H,11-12,20H2,1-2H3,(H,21,23).
What are the key properties of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide?
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 119328600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).