(E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide

C20H35N3O4 — CID 166975006

IUPAC(E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide
SMILESCCCNC(C)C(=O)CCNC(C)C(=O)CCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C20H35N3O4/c1-6-11-21-15(4)18(25)9-12-22-16(5)19(26)10-13-23-20(27)8-7-17(24)14(2)3/h7-8,14-16,21-22H,6,9-13H2,1-5H3,(H,23,27)/b8-7+
InChIKeyAFNOEAWYYPBYTK-BQYQJAHWSA-N
MW381.52 g/mol
LogP1.17
Rot. Bonds15

About (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide

(E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide (PubChem CID 166975006) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide.

Molecular Properties

Compound Name(E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide
PubChem CID166975006
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Name(E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide
SMILESCCCNC(C)C(=O)CCNC(C)C(=O)CCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C20H35N3O4/c1-6-11-21-15(4)18(25)9-12-22-16(5)19(26)10-13-23-20(27)8-7-17(24)14(2)3/h7-8,14-16,21-22H,6,9-13H2,1-5H3,(H,23,27)/b8-7+
InChIKeyAFNOEAWYYPBYTK-BQYQJAHWSA-N
XLogP1.17
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide with MolForge

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Related Compounds

(Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide
CID 174154554
(E)-5-methyl-4-oxo-N-(2-propoxyethyl)hex-2-enamide
CID 178008368
(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen
CID 171558068
methyl N-[4-oxo-4-(propylamino)but-2-enoyl]carbamate
CID 58159323
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
butan-2-yl (Z)-4-oxo-4-(propylamino)but-2-enoate
CID 139690830
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
CID 142449079
(E)-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobut-2-enoic acid
CID 54900855
(2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide
CID 10105497
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide?
The IUPAC name of (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide (CID 166975006) is (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide.
What is the SMILES notation for (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide?
The canonical SMILES for (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide is CCCNC(C)C(=O)CCNC(C)C(=O)CCNC(=O)/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide?
The InChIKey is AFNOEAWYYPBYTK-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-6-11-21-15(4)18(25)9-12-22-16(5)19(26)10-13-23-20(27)8-7-17(24)14(2)3/h7-8,14-16,21-22H,6,9-13H2,1-5H3,(H,23,27)/b8-7+.
What are the key properties of (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide?
(E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide has a molecular weight of 381.52 g/mol, XLogP of 1.17, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide is sourced from PubChem (CID 166975006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).