N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide

C20H26N2O3 — CID 111449202

IUPACN-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
SMILESCCC(CCO)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H26N2O3/c1-3-17(11-12-23)21-14-15-5-4-6-18(13-15)22-20(24)16-7-9-19(25-2)10-8-16/h4-10,13,17,21,23H,3,11-12,14H2,1-2H3,(H,22,24)
InChIKeyRPTAVNGFULUQAM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.20
Rot. Bonds9

About N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide

N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide (PubChem CID 111449202) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
PubChem CID111449202
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
SMILESCCC(CCO)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H26N2O3/c1-3-17(11-12-23)21-14-15-5-4-6-18(13-15)22-20(24)16-7-9-19(25-2)10-8-16/h4-10,13,17,21,23H,3,11-12,14H2,1-2H3,(H,22,24)
InChIKeyRPTAVNGFULUQAM-UHFFFAOYSA-N
XLogP3.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111448623
N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111112630
4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide
CID 124726803
2-[[[3-[(4-methoxybenzoyl)amino]phenyl]methylamino]methyl]-4-methylpentanoic acid
CID 122072946
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide
CID 18353135
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
[4-[[3-[[(3,5-dimethoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931918
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide (CID 111449202) is N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide is CCC(CCO)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide?
The InChIKey is RPTAVNGFULUQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-17(11-12-23)21-14-15-5-4-6-18(13-15)22-20(24)16-7-9-19(25-2)10-8-16/h4-10,13,17,21,23H,3,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide?
N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 111449202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).