N-[(dibutylamino)-phenylmethyl]prop-2-enamide

C18H28N2O — CID 91423173

IUPACN-[(dibutylamino)-phenylmethyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccccc1)N(CCCC)CCCC
InChIInChI=1S/C18H28N2O/c1-4-7-14-20(15-8-5-2)18(19-17(21)6-3)16-12-10-9-11-13-16/h6,9-13,18H,3-5,7-8,14-15H2,1-2H3,(H,19,21)
InChIKeyKVQAFNSCARSIDV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.89
Rot. Bonds10

About N-[(dibutylamino)-phenylmethyl]prop-2-enamide

N-[(dibutylamino)-phenylmethyl]prop-2-enamide (PubChem CID 91423173) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(dibutylamino)-phenylmethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(dibutylamino)-phenylmethyl]prop-2-enamide
PubChem CID91423173
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(dibutylamino)-phenylmethyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccccc1)N(CCCC)CCCC
InChIInChI=1S/C18H28N2O/c1-4-7-14-20(15-8-5-2)18(19-17(21)6-3)16-12-10-9-11-13-16/h6,9-13,18H,3-5,7-8,14-15H2,1-2H3,(H,19,21)
InChIKeyKVQAFNSCARSIDV-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-phenylprop-2-enamide
CID 43619884
2-phenyl-1-(prop-2-enoylamino)nonane-1-sulfonic acid
CID 162517568
3-benzhydryl-1,1-dibutylurea
CID 108867480
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
N-[1-(dibutylamino)ethyl]prop-2-enamide;methyl hydrogen sulfate
CID 138397380
N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride
CID 3027044
(2S)-3-(2-ethylphenyl)-2-(prop-2-enoylamino)propanoic acid
CID 67680227
benzene;N-(1-hydroxybutyl)prop-2-enamide;phenol
CID 174886545
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556

Frequently Asked Questions

What is the IUPAC name of N-[(dibutylamino)-phenylmethyl]prop-2-enamide?
The IUPAC name of N-[(dibutylamino)-phenylmethyl]prop-2-enamide (CID 91423173) is N-[(dibutylamino)-phenylmethyl]prop-2-enamide.
What is the SMILES notation for N-[(dibutylamino)-phenylmethyl]prop-2-enamide?
The canonical SMILES for N-[(dibutylamino)-phenylmethyl]prop-2-enamide is C=CC(=O)NC(c1ccccc1)N(CCCC)CCCC.
What is the InChIKey of N-[(dibutylamino)-phenylmethyl]prop-2-enamide?
The InChIKey is KVQAFNSCARSIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-7-14-20(15-8-5-2)18(19-17(21)6-3)16-12-10-9-11-13-16/h6,9-13,18H,3-5,7-8,14-15H2,1-2H3,(H,19,21).
What are the key properties of N-[(dibutylamino)-phenylmethyl]prop-2-enamide?
N-[(dibutylamino)-phenylmethyl]prop-2-enamide has a molecular weight of 288.44 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dibutylamino)-phenylmethyl]prop-2-enamide is sourced from PubChem (CID 91423173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).