(Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide

C19H35N3O3 — CID 174154554

IUPAC(Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide
SMILESCC(C)CNC(C)C(=O)CCNCCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C19H35N3O3/c1-14(2)13-22-16(5)18(24)9-12-20-10-6-11-21-19(25)8-7-17(23)15(3)4/h7-8,14-16,20,22H,6,9-13H2,1-5H3,(H,21,25)/b8-7-
InChIKeyPSTFVPMFPPEYDY-FPLPWBNLSA-N
MW353.51 g/mol
LogP1.46
Rot. Bonds14

About (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide

(Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide (PubChem CID 174154554) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide
PubChem CID174154554
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name(Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide
SMILESCC(C)CNC(C)C(=O)CCNCCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C19H35N3O3/c1-14(2)13-22-16(5)18(24)9-12-20-10-6-11-21-19(25)8-7-17(23)15(3)4/h7-8,14-16,20,22H,6,9-13H2,1-5H3,(H,21,25)/b8-7-
InChIKeyPSTFVPMFPPEYDY-FPLPWBNLSA-N
XLogP1.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide?
The IUPAC name of (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide (CID 174154554) is (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide?
The canonical SMILES for (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide is CC(C)CNC(C)C(=O)CCNCCCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide?
The InChIKey is PSTFVPMFPPEYDY-FPLPWBNLSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-14(2)13-22-16(5)18(24)9-12-20-10-6-11-21-19(25)8-7-17(23)15(3)4/h7-8,14-16,20,22H,6,9-13H2,1-5H3,(H,21,25)/b8-7-.
What are the key properties of (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide?
(Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide has a molecular weight of 353.51 g/mol, XLogP of 1.46, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N-[3-[[4-(2-methylpropylamino)-3-oxopentyl]amino]propyl]-4-oxohex-2-enamide is sourced from PubChem (CID 174154554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).