(E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide

C19H32N4O5 — CID 58435771

IUPAC(E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide
SMILESCC(=O)/C=C/CCC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C=O)N(C)C
InChIInChI=1S/C19H32N4O5/c1-12(11-24)20-17(26)14(3)21-18(27)15(4)22-19(28)16(23(5)6)10-8-7-9-13(2)25/h7,9,11-12,14-16H,8,10H2,1-6H3,(H,20,26)(H,21,27)(H,22,28)/b9-7+
InChIKeyIZVFUKBYNVPRQZ-VQHVLOKHSA-N
MW396.49 g/mol
LogP-0.44
Rot. Bonds12

About (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide

(E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide (PubChem CID 58435771) has the molecular formula C19H32N4O5 and a molecular weight of 396.49 g/mol. Its IUPAC name is (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide.

Molecular Properties

Compound Name(E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide
PubChem CID58435771
Molecular FormulaC19H32N4O5
Molecular Weight396.49 g/mol
Exact Mass396.24
IUPAC Name(E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide
SMILESCC(=O)/C=C/CCC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C=O)N(C)C
InChIInChI=1S/C19H32N4O5/c1-12(11-24)20-17(26)14(3)21-18(27)15(4)22-19(28)16(23(5)6)10-8-7-9-13(2)25/h7,9,11-12,14-16H,8,10H2,1-6H3,(H,20,26)(H,21,27)(H,22,28)/b9-7+
InChIKeyIZVFUKBYNVPRQZ-VQHVLOKHSA-N
XLogP-0.44
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide with MolForge

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Launch Full Analysis

Related Compounds

2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
CID 163702587
2-acetamido-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 173042911
2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 11949429
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
CID 142449079
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxy-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 25203952
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylselanyl-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 102515548
(3E,7S,9E,11E)-7-methyltrideca-3,9,11-trien-2-one
CID 11687113
10-methylundec-3-en-2-one
CID 154192046
2-(dimethylamino)-4-methyl-N-propan-2-ylpentanamide
CID 170685859
(3E,8E)-10-hydroxy-7-methylundeca-3,8-dien-2-one
CID 162415721
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478

Frequently Asked Questions

What is the IUPAC name of (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide?
The IUPAC name of (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide (CID 58435771) is (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide.
What is the SMILES notation for (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide?
The canonical SMILES for (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide is CC(=O)/C=C/CCC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C=O)N(C)C.
What is the InChIKey of (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide?
The InChIKey is IZVFUKBYNVPRQZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H32N4O5/c1-12(11-24)20-17(26)14(3)21-18(27)15(4)22-19(28)16(23(5)6)10-8-7-9-13(2)25/h7,9,11-12,14-16H,8,10H2,1-6H3,(H,20,26)(H,21,27)(H,22,28)/b9-7+.
What are the key properties of (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide?
(E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide has a molecular weight of 396.49 g/mol, XLogP of -0.44, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide is sourced from PubChem (CID 58435771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).