N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide

C17H20N2O2 — CID 43683747

IUPACN-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)17(21)19-15-8-6-14(7-9-15)18-11-13-4-3-5-16(20)10-13/h3-10,12,18,20H,11H2,1-2H3,(H,19,21)
InChIKeyDNRQBBDCYWWVDM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.60
Rot. Bonds5

About N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide

N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide (PubChem CID 43683747) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
PubChem CID43683747
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)17(21)19-15-8-6-14(7-9-15)18-11-13-4-3-5-16(20)10-13/h3-10,12,18,20H,11H2,1-2H3,(H,19,21)
InChIKeyDNRQBBDCYWWVDM-UHFFFAOYSA-N
XLogP3.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[(4-ethylsulfonylanilino)methyl]phenol
CID 43689674
2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
CID 66408507
N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
CID 99843072
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
3-[[4-(difluoromethoxy)anilino]methyl]phenol
CID 28623903

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide (CID 43683747) is N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NCc2cccc(O)c2)cc1.
What is the InChIKey of N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide?
The InChIKey is DNRQBBDCYWWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)17(21)19-15-8-6-14(7-9-15)18-11-13-4-3-5-16(20)10-13/h3-10,12,18,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide?
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 43683747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).