(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide

C19H32N6O4 — CID 70503793

IUPAC(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide
SMILESC/C(N)=C/C(=O)NCCCN1C(=O)N(CCCNC(=O)/C=C(/C)N)C(C)(C)C1=O
InChIInChI=1S/C19H32N6O4/c1-13(20)11-15(26)22-7-5-9-24-17(28)19(3,4)25(18(24)29)10-6-8-23-16(27)12-14(2)21/h11-12H,5-10,20-21H2,1-4H3,(H,22,26)(H,23,27)/b13-11-,14-12-
InChIKeyHOHSIMJXKVLCNX-XSYHWHKQSA-N
MW408.50 g/mol
LogP-0.23
Rot. Bonds10

About (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide

(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide (PubChem CID 70503793) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide
PubChem CID70503793
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC Name(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide
SMILESC/C(N)=C/C(=O)NCCCN1C(=O)N(CCCNC(=O)/C=C(/C)N)C(C)(C)C1=O
InChIInChI=1S/C19H32N6O4/c1-13(20)11-15(26)22-7-5-9-24-17(28)19(3,4)25(18(24)29)10-6-8-23-16(27)12-14(2)21/h11-12H,5-10,20-21H2,1-4H3,(H,22,26)(H,23,27)/b13-11-,14-12-
InChIKeyHOHSIMJXKVLCNX-XSYHWHKQSA-N
XLogP-0.23
TPSA150.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', '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)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide?
The IUPAC name of (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide (CID 70503793) is (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide?
The canonical SMILES for (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide is C/C(N)=C/C(=O)NCCCN1C(=O)N(CCCNC(=O)/C=C(/C)N)C(C)(C)C1=O.
What is the InChIKey of (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide?
The InChIKey is HOHSIMJXKVLCNX-XSYHWHKQSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-13(20)11-15(26)22-7-5-9-24-17(28)19(3,4)25(18(24)29)10-6-8-23-16(27)12-14(2)21/h11-12H,5-10,20-21H2,1-4H3,(H,22,26)(H,23,27)/b13-11-,14-12-.
What are the key properties of (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide?
(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide has a molecular weight of 408.50 g/mol, XLogP of -0.23, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide is sourced from PubChem (CID 70503793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).