3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide

C30H48N6O6 — CID 134427342

IUPAC3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide
SMILESC=CC(=O)NCCCN(CCCNC(=O)CCN(CCCN(CCCNC(=O)C=C)C(=O)CC)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C30H48N6O6/c1-6-25(37)31-16-11-19-34(28(40)8-3)20-13-18-33-27(39)15-24-36(30(42)10-5)23-14-22-35(29(41)9-4)21-12-17-32-26(38)7-2/h6-8,10H,1-3,5,9,11-24H2,4H3,(H,31,37)(H,32,38)(H,33,39)
InChIKeyCHARZBPPSVLRRW-UHFFFAOYSA-N
MW588.75 g/mol
LogP0.93
Rot. Bonds24

About 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide

3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide (PubChem CID 134427342) has the molecular formula C30H48N6O6 and a molecular weight of 588.75 g/mol. Its IUPAC name is 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide.

Molecular Properties

Compound Name3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide
PubChem CID134427342
Molecular FormulaC30H48N6O6
Molecular Weight588.75 g/mol
Exact Mass588.36
IUPAC Name3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide
SMILESC=CC(=O)NCCCN(CCCNC(=O)CCN(CCCN(CCCNC(=O)C=C)C(=O)CC)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C30H48N6O6/c1-6-25(37)31-16-11-19-34(28(40)8-3)20-13-18-33-27(39)15-24-36(30(42)10-5)23-14-22-35(29(41)9-4)21-12-17-32-26(38)7-2/h6-8,10H,1-3,5,9,11-24H2,4H3,(H,31,37)(H,32,38)(H,33,39)
InChIKeyCHARZBPPSVLRRW-UHFFFAOYSA-N
XLogP0.93
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.75
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide with MolForge

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Related Compounds

N,N-Dimethylaminopropyl acrylamide
CID 77452
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
Poly(carboxybetaine acrylamide)
CID 12851415
N-methyl-N-[3-(methylamino)propyl]prop-2-enamide
CID 22239202
N-[3-(dimethylamino)propyl]acrylamide acrylamide
CID 86757471
N-(2-(diethylamino)ethyl)-N-(3-(isopropylamino)-3-oxopropyl)-acrylamide
CID 139592629
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
CID 159721978
3-[(3-Acrylamidopropyl)dimethylammonium] propanoate
CID 169093048
3-(N,N-Diethylamino)propylacrylamide
CID 11194734
N,n',n'',n'''-tetraacryloyltriethylenetetramine
CID 9863796
2-Propenamide, N-[3-(dimethylamino)propyl]-, sulfate, polymer with 2-propenamide
CID 44153968

Frequently Asked Questions

What is the IUPAC name of 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
The IUPAC name of 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide (CID 134427342) is 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide.
What is the SMILES notation for 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
The canonical SMILES for 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide is C=CC(=O)NCCCN(CCCNC(=O)CCN(CCCN(CCCNC(=O)C=C)C(=O)CC)C(=O)C=C)C(=O)C=C.
What is the InChIKey of 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
The InChIKey is CHARZBPPSVLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N6O6/c1-6-25(37)31-16-11-19-34(28(40)8-3)20-13-18-33-27(39)15-24-36(30(42)10-5)23-14-22-35(29(41)9-4)21-12-17-32-26(38)7-2/h6-8,10H,1-3,5,9,11-24H2,4H3,(H,31,37)(H,32,38)(H,33,39).
What are the key properties of 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide has a molecular weight of 588.75 g/mol, XLogP of 0.93, 24 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide is sourced from PubChem (CID 134427342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).