N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide

C16H26N4O4 — CID 101217114

IUPACN,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide
SMILESC=CC(=O)NC(C)CNC(=O)CCC(=O)NCC(C)NC(=O)C=C
InChIInChI=1S/C16H26N4O4/c1-5-13(21)19-11(3)9-17-15(23)7-8-16(24)18-10-12(4)20-14(22)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3,(H,17,23)(H,18,24)(H,19,21)(H,20,22)
InChIKeyJXLJRIRMWLGMAF-UHFFFAOYSA-N
MW338.41 g/mol
LogP-0.62
Rot. Bonds11

About N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide

N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide (PubChem CID 101217114) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide
PubChem CID101217114
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide
SMILESC=CC(=O)NC(C)CNC(=O)CCC(=O)NCC(C)NC(=O)C=C
InChIInChI=1S/C16H26N4O4/c1-5-13(21)19-11(3)9-17-15(23)7-8-16(24)18-10-12(4)20-14(22)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3,(H,17,23)(H,18,24)(H,19,21)(H,20,22)
InChIKeyJXLJRIRMWLGMAF-UHFFFAOYSA-N
XLogP-0.62
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
methyl 3-(prop-2-enoylamino)butanoate
CID 139498956
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
N-(5-trimethoxysilylpentan-2-yl)prop-2-enamide
CID 172553475
N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
CID 167837204
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
CID 172681063
CID 172681063
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
CID 61473845

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide?
The IUPAC name of N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide (CID 101217114) is N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide.
What is the SMILES notation for N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide?
The canonical SMILES for N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide is C=CC(=O)NC(C)CNC(=O)CCC(=O)NCC(C)NC(=O)C=C.
What is the InChIKey of N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide?
The InChIKey is JXLJRIRMWLGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-5-13(21)19-11(3)9-17-15(23)7-8-16(24)18-10-12(4)20-14(22)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3,(H,17,23)(H,18,24)(H,19,21)(H,20,22).
What are the key properties of N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide?
N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide has a molecular weight of 338.41 g/mol, XLogP of -0.62, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide is sourced from PubChem (CID 101217114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).