N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide

C16H21NO2 — CID 171134458

IUPACN-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide
SMILESCOCC1(CNC(=O)C=Cc2ccccc2)CCC1
InChIInChI=1S/C16H21NO2/c1-19-13-16(10-5-11-16)12-17-15(18)9-8-14-6-3-2-4-7-14/h2-4,6-9H,5,10-13H2,1H3,(H,17,18)
InChIKeyHOIZSINRSZBHCJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds6

About N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide

N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide (PubChem CID 171134458) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide
PubChem CID171134458
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide
SMILESCOCC1(CNC(=O)C=Cc2ccccc2)CCC1
InChIInChI=1S/C16H21NO2/c1-19-13-16(10-5-11-16)12-17-15(18)9-8-14-6-3-2-4-7-14/h2-4,6-9H,5,10-13H2,1H3,(H,17,18)
InChIKeyHOIZSINRSZBHCJ-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2-[1-[[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164049
N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-phenylprop-2-enamide
CID 171136928
3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
CID 71961166
1-[[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81361760
(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide
CID 114107791
3-(3-chlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021946
1-[[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]methyl]cyclobutane-1-carboxylic acid
CID 91338465
(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
CID 113343565

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide (CID 171134458) is N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide is COCC1(CNC(=O)C=Cc2ccccc2)CCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide?
The InChIKey is HOIZSINRSZBHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-13-16(10-5-11-16)12-17-15(18)9-8-14-6-3-2-4-7-14/h2-4,6-9H,5,10-13H2,1H3,(H,17,18).
What are the key properties of N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide?
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171134458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).