(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide

C19H33N3O — CID 143916257

IUPAC(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
SMILESC/C=C(\C)N.CCCN(CC)CCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O.C4H9N/c1-4-11-17(5-2)12-10-16-15(18)14-8-6-13(3)7-9-14;1-3-4(2)5/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);3H,5H2,1-2H3/b;4-3+
InChIKeyGWKMFLYRCLZDBF-SCBDLNNBSA-N
MW319.49 g/mol
LogP3.33
Rot. Bonds7

About (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide

(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide (PubChem CID 143916257) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
PubChem CID143916257
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
SMILESC/C=C(\C)N.CCCN(CC)CCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O.C4H9N/c1-4-11-17(5-2)12-10-16-15(18)14-8-6-13(3)7-9-14;1-3-4(2)5/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);3H,5H2,1-2H3/b;4-3+
InChIKeyGWKMFLYRCLZDBF-SCBDLNNBSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
6-amino-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 114134937
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
CID 103719344
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide (CID 143916257) is (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide is C/C=C(\C)N.CCCN(CC)CCNC(=O)c1ccc(C)cc1.
What is the InChIKey of (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is GWKMFLYRCLZDBF-SCBDLNNBSA-N. The full InChI is InChI=1S/C15H24N2O.C4H9N/c1-4-11-17(5-2)12-10-16-15(18)14-8-6-13(3)7-9-14;1-3-4(2)5/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);3H,5H2,1-2H3/b;4-3+.
What are the key properties of (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide?
(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 319.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 143916257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).