N-(2-aminopropyl)-2,5-dimethoxybenzamide

C12H18N2O3 — CID 63731879

IUPACN-(2-aminopropyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC(C)N)c1
InChIInChI=1S/C12H18N2O3/c1-8(13)7-14-12(15)10-6-9(16-2)4-5-11(10)17-3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeySXRFTVLCPUNOOU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.78
Rot. Bonds5

About N-(2-aminopropyl)-2,5-dimethoxybenzamide

N-(2-aminopropyl)-2,5-dimethoxybenzamide (PubChem CID 63731879) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-aminopropyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2,5-dimethoxybenzamide
PubChem CID63731879
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-aminopropyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC(C)N)c1
InChIInChI=1S/C12H18N2O3/c1-8(13)7-14-12(15)10-6-9(16-2)4-5-11(10)17-3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeySXRFTVLCPUNOOU-UHFFFAOYSA-N
XLogP0.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
2,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676570
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
CID 47439309
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368930
methyl 3-[(2,4-dimethoxybenzoyl)amino]-2-iodopropanoate
CID 103493347

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(2-aminopropyl)-2,5-dimethoxybenzamide (CID 63731879) is N-(2-aminopropyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-aminopropyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(2-aminopropyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCC(C)N)c1.
What is the InChIKey of N-(2-aminopropyl)-2,5-dimethoxybenzamide?
The InChIKey is SXRFTVLCPUNOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(13)7-14-12(15)10-6-9(16-2)4-5-11(10)17-3/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-(2-aminopropyl)-2,5-dimethoxybenzamide?
N-(2-aminopropyl)-2,5-dimethoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 63731879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).