(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide

C17H23NO3 — CID 115759757

IUPAC(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-18(13-17(20)11-3-4-12-17)16(19)10-7-14-5-8-15(21-2)9-6-14/h5-10,20H,3-4,11-13H2,1-2H3/b10-7+
InChIKeySBSWUGCSKREVPZ-JXMROGBWSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds5

About (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide

(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 115759757) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID115759757
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-18(13-17(20)11-3-4-12-17)16(19)10-7-14-5-8-15(21-2)9-6-14/h5-10,20H,3-4,11-13H2,1-2H3/b10-7+
InChIKeySBSWUGCSKREVPZ-JXMROGBWSA-N
XLogP2.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 162878387
(E)-3-(5-bromothiophen-2-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
CID 115759827
N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 76911057
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
3-(4-methoxyphenyl)-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide
CID 71962632
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830331
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide (CID 115759757) is (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide is COc1ccc(/C=C/C(=O)N(C)CC2(O)CCCC2)cc1.
What is the InChIKey of (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is SBSWUGCSKREVPZ-JXMROGBWSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18(13-17(20)11-3-4-12-17)16(19)10-7-14-5-8-15(21-2)9-6-14/h5-10,20H,3-4,11-13H2,1-2H3/b10-7+.
What are the key properties of (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
(E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-hydroxycyclopentyl)methyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 115759757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).