methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate

C19H25NO4 — CID 143652635

IUPACmethyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(C(C)NCC(=O)OC2CCCC2)cc1
InChIInChI=1S/C19H25NO4/c1-14(20-13-19(22)24-17-5-3-4-6-17)16-10-7-15(8-11-16)9-12-18(21)23-2/h7-12,14,17,20H,3-6,13H2,1-2H3/b12-9+
InChIKeyDMEABEQSAUQOOH-FMIVXFBMSA-N
MW331.41 g/mol
LogP3.01
Rot. Bonds7

About methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate

methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate (PubChem CID 143652635) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate
PubChem CID143652635
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Namemethyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(C(C)NCC(=O)OC2CCCC2)cc1
InChIInChI=1S/C19H25NO4/c1-14(20-13-19(22)24-17-5-3-4-6-17)16-10-7-15(8-11-16)9-12-18(21)23-2/h7-12,14,17,20H,3-6,13H2,1-2H3/b12-9+
InChIKeyDMEABEQSAUQOOH-FMIVXFBMSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate with MolForge

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Related Compounds

cyclopentyl 2-(propan-2-ylamino)acetate
CID 45098593
cyclopentyl 1-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]methylamino]cyclopentane-1-carboxylate
CID 67955681
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
methyl 3-[4-(2-methylpropyl)phenyl]prop-2-enoate
CID 139892632
4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
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CID 24554790
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl 3-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]phenyl]prop-2-enoate
CID 67158837
methyl (E)-3-[4-(4-amino-1,2-dihydroxybutyl)phenyl]prop-2-enoate
CID 171882116
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate (CID 143652635) is methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(C(C)NCC(=O)OC2CCCC2)cc1.
What is the InChIKey of methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate?
The InChIKey is DMEABEQSAUQOOH-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H25NO4/c1-14(20-13-19(22)24-17-5-3-4-6-17)16-10-7-15(8-11-16)9-12-18(21)23-2/h7-12,14,17,20H,3-6,13H2,1-2H3/b12-9+.
What are the key properties of methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate?
methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate has a molecular weight of 331.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-[1-[(2-cyclopentyloxy-2-oxoethyl)amino]ethyl]phenyl]prop-2-enoate is sourced from PubChem (CID 143652635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).