2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide

C19H34N4O3 — CID 175618368

IUPAC2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide
SMILESC=C(CNC(=C)[C@H](CC(C)C)NC(=O)C(C)CCC(N)=O)NCC(C)=O
InChIInChI=1S/C19H34N4O3/c1-12(2)9-17(23-19(26)13(3)7-8-18(20)25)16(6)22-10-14(4)21-11-15(5)24/h12-13,17,21-22H,4,6-11H2,1-3,5H3,(H2,20,25)(H,23,26)/t13?,17-/m0/s1
InChIKeyVUXMQZQLEJGDTP-RUINGEJQSA-N
MW366.51 g/mol
LogP1.21
Rot. Bonds14

About 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide

2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide (PubChem CID 175618368) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide
PubChem CID175618368
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide
SMILESC=C(CNC(=C)[C@H](CC(C)C)NC(=O)C(C)CCC(N)=O)NCC(C)=O
InChIInChI=1S/C19H34N4O3/c1-12(2)9-17(23-19(26)13(3)7-8-18(20)25)16(6)22-10-14(4)21-11-15(5)24/h12-13,17,21-22H,4,6-11H2,1-3,5H3,(H2,20,25)(H,23,26)/t13?,17-/m0/s1
InChIKeyVUXMQZQLEJGDTP-RUINGEJQSA-N
XLogP1.21
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide?
The IUPAC name of 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide (CID 175618368) is 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide.
What is the SMILES notation for 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide?
The canonical SMILES for 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide is C=C(CNC(=C)[C@H](CC(C)C)NC(=O)C(C)CCC(N)=O)NCC(C)=O.
What is the InChIKey of 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide?
The InChIKey is VUXMQZQLEJGDTP-RUINGEJQSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-12(2)9-17(23-19(26)13(3)7-8-18(20)25)16(6)22-10-14(4)21-11-15(5)24/h12-13,17,21-22H,4,6-11H2,1-3,5H3,(H2,20,25)(H,23,26)/t13?,17-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide?
2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide has a molecular weight of 366.51 g/mol, XLogP of 1.21, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide is sourced from PubChem (CID 175618368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).