N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide

C22H25NO2 — CID 3347700

IUPACN-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H25NO2/c24-22(23(15-17-10-11-17)16-20-8-4-14-25-20)13-12-19-7-3-6-18-5-1-2-9-21(18)19/h1-3,5-7,9,12-13,17,20H,4,8,10-11,14-16H2
InChIKeyBWGXYIDPSOOZNZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.27
Rot. Bonds6

About N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide

N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 3347700) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID3347700
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H25NO2/c24-22(23(15-17-10-11-17)16-20-8-4-14-25-20)13-12-19-7-3-6-18-5-1-2-9-21(18)19/h1-3,5-7,9,12-13,17,20H,4,8,10-11,14-16H2
InChIKeyBWGXYIDPSOOZNZ-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352018
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 45205428
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558
(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268
(E)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 42522718
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
2-[3-(4-fluorophenyl)prop-2-enoyl-(oxolan-2-ylmethyl)amino]acetic acid
CID 71915579
(E)-3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 42484513
(E)-3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 19120021
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 3347700) is N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide is O=C(C=Cc1cccc2ccccc12)N(CC1CC1)CC1CCCO1.
What is the InChIKey of N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is BWGXYIDPSOOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-22(23(15-17-10-11-17)16-20-8-4-14-25-20)13-12-19-7-3-6-18-5-1-2-9-21(18)19/h1-3,5-7,9,12-13,17,20H,4,8,10-11,14-16H2.
What are the key properties of N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide?
N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 3347700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).