N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide

C17H27N3O3 — CID 120604319

IUPACN-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide
SMILESCC(C)CCOC(C)C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C17H27N3O3/c1-12(2)8-11-23-13(3)16(21)20-15-7-5-4-6-14(15)17(22)19-10-9-18/h4-7,12-13H,8-11,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyMMBXWQRLFSQBBZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.76
Rot. Bonds9

About N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide

N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide (PubChem CID 120604319) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide
PubChem CID120604319
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide
SMILESCC(C)CCOC(C)C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C17H27N3O3/c1-12(2)8-11-23-13(3)16(21)20-15-7-5-4-6-14(15)17(22)19-10-9-18/h4-7,12-13H,8-11,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyMMBXWQRLFSQBBZ-UHFFFAOYSA-N
XLogP1.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[2-(3-tert-butylphenoxy)propanoylamino]benzamide
CID 120604154
N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
N-(2-aminoethyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 120603874
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
CID 24710893
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 120603872
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide (CID 120604319) is N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide is CC(C)CCOC(C)C(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide?
The InChIKey is MMBXWQRLFSQBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)8-11-23-13(3)16(21)20-15-7-5-4-6-14(15)17(22)19-10-9-18/h4-7,12-13H,8-11,18H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide?
N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide has a molecular weight of 321.42 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(3-methylbutoxy)propanoylamino]benzamide is sourced from PubChem (CID 120604319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).