N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide

C16H18N2O3 — CID 16793219

IUPACN-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN)cc2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-20-14-8-5-12(9-15(14)21-2)16(19)18-13-6-3-11(10-17)4-7-13/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySODQIEHNNTYIQS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide

N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 16793219) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
PubChem CID16793219
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN)cc2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-20-14-8-5-12(9-15(14)21-2)16(19)18-13-6-3-11(10-17)4-7-13/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeySODQIEHNNTYIQS-UHFFFAOYSA-N
XLogP2.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
CID 67545488
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide (CID 16793219) is N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(CN)cc2)cc1OC.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is SODQIEHNNTYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-8-5-12(9-15(14)21-2)16(19)18-13-6-3-11(10-17)4-7-13/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide?
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 16793219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).