N,N-bis(2-phenylethyl)prop-2-enamide

C19H21NO — CID 57066259

IUPACN,N-bis(2-phenylethyl)prop-2-enamide
SMILESC=CC(=O)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H21NO/c1-2-19(21)20(15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h2-12H,1,13-16H2
InChIKeyVVKBJOQMEHGTRX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.49
Rot. Bonds7

About N,N-bis(2-phenylethyl)prop-2-enamide

N,N-bis(2-phenylethyl)prop-2-enamide (PubChem CID 57066259) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-bis(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-phenylethyl)prop-2-enamide
PubChem CID57066259
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN,N-bis(2-phenylethyl)prop-2-enamide
SMILESC=CC(=O)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H21NO/c1-2-19(21)20(15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h2-12H,1,13-16H2
InChIKeyVVKBJOQMEHGTRX-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
N,N-bis(benzylsulfanylmethyl)prop-2-enamide
CID 57114251
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
N-benzyl-N-pentylprop-2-enamide
CID 176825792
4-[benzyl(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 6735055
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
1,1,3-tris(2-phenylethyl)urea
CID 123287811

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-phenylethyl)prop-2-enamide?
The IUPAC name of N,N-bis(2-phenylethyl)prop-2-enamide (CID 57066259) is N,N-bis(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2-phenylethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2-phenylethyl)prop-2-enamide is C=CC(=O)N(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of N,N-bis(2-phenylethyl)prop-2-enamide?
The InChIKey is VVKBJOQMEHGTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-19(21)20(15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h2-12H,1,13-16H2.
What are the key properties of N,N-bis(2-phenylethyl)prop-2-enamide?
N,N-bis(2-phenylethyl)prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 57066259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).