3-amino-N-(2-butoxyethyl)-4-methylbenzamide

C14H22N2O2 — CID 61169083

IUPAC3-amino-N-(2-butoxyethyl)-4-methylbenzamide
SMILESCCCCOCCNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-8-18-9-7-16-14(17)12-6-5-11(2)13(15)10-12/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyXIISGPLUBXITGU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.12
Rot. Bonds7

About 3-amino-N-(2-butoxyethyl)-4-methylbenzamide

3-amino-N-(2-butoxyethyl)-4-methylbenzamide (PubChem CID 61169083) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2-butoxyethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-butoxyethyl)-4-methylbenzamide
PubChem CID61169083
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2-butoxyethyl)-4-methylbenzamide
SMILESCCCCOCCNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-8-18-9-7-16-14(17)12-6-5-11(2)13(15)10-12/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyXIISGPLUBXITGU-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
3-amino-4-chloro-N-(2-ethoxyethyl)benzamide
CID 43590642
4-amino-N-(3-butoxypropyl)-3-nitrobenzamide
CID 27682777
N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27682949
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
4-amino-3-methyl-N-octylbenzamide
CID 115565914
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
N-(2-butoxyethyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 76928576

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-butoxyethyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-butoxyethyl)-4-methylbenzamide (CID 61169083) is 3-amino-N-(2-butoxyethyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-butoxyethyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-butoxyethyl)-4-methylbenzamide is CCCCOCCNC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-(2-butoxyethyl)-4-methylbenzamide?
The InChIKey is XIISGPLUBXITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-8-18-9-7-16-14(17)12-6-5-11(2)13(15)10-12/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(2-butoxyethyl)-4-methylbenzamide?
3-amino-N-(2-butoxyethyl)-4-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-butoxyethyl)-4-methylbenzamide is sourced from PubChem (CID 61169083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).