N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide

C18H25N3O2 — CID 54817965

IUPACN-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(C)c(NC(=O)CC)c1
InChIInChI=1S/C18H25N3O2/c1-5-10-21(11-6-2)13-18(23)19-15-9-8-14(4)16(12-15)20-17(22)7-3/h5-6,8-9,12H,1-2,7,10-11,13H2,3-4H3,(H,19,23)(H,20,22)
InChIKeyFUXMWXFXGIJVBU-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.96
Rot. Bonds9

About N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54817965) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54817965
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(C)c(NC(=O)CC)c1
InChIInChI=1S/C18H25N3O2/c1-5-10-21(11-6-2)13-18(23)19-15-9-8-14(4)16(12-15)20-17(22)7-3/h5-6,8-9,12H,1-2,7,10-11,13H2,3-4H3,(H,19,23)(H,20,22)
InChIKeyFUXMWXFXGIJVBU-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78793369
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 86865777

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide (CID 54817965) is N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide is C=CCN(CC=C)CC(=O)Nc1ccc(C)c(NC(=O)CC)c1.
What is the InChIKey of N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is FUXMWXFXGIJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-10-21(11-6-2)13-18(23)19-15-9-8-14(4)16(12-15)20-17(22)7-3/h5-6,8-9,12H,1-2,7,10-11,13H2,3-4H3,(H,19,23)(H,20,22).
What are the key properties of N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54817965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).