N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide

C14H22N2O3 — CID 61349332

IUPACN-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CCN)C(C)C)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)16(8-7-15)14(17)12-6-5-11(18-3)9-13(12)19-4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeySRLMGIZXUDRMBA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.51
Rot. Bonds6

About N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide

N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide (PubChem CID 61349332) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
PubChem CID61349332
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CCN)C(C)C)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)16(8-7-15)14(17)12-6-5-11(18-3)9-13(12)19-4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeySRLMGIZXUDRMBA-UHFFFAOYSA-N
XLogP1.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 3164331
4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 63223316
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 5145817
2-bromo-N-(2-bromoethyl)-5-methoxy-N-propan-2-ylbenzamide
CID 80666522

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide (CID 61349332) is N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(CCN)C(C)C)c(OC)c1.
What is the InChIKey of N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide?
The InChIKey is SRLMGIZXUDRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16(8-7-15)14(17)12-6-5-11(18-3)9-13(12)19-4/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide?
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 61349332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).