methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate

C20H23NO4 — CID 101441426

IUPACmethyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
SMILESC=C(C(=O)OC)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-15(20(22)25-4)21(13-16-5-9-18(23-2)10-6-16)14-17-7-11-19(24-3)12-8-17/h5-12H,1,13-14H2,2-4H3
InChIKeyVBSWWCHGCHYKCI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.39
Rot. Bonds8

About methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate

methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate (PubChem CID 101441426) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
PubChem CID101441426
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
SMILESC=C(C(=O)OC)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C20H23NO4/c1-15(20(22)25-4)21(13-16-5-9-18(23-2)10-6-16)14-17-7-11-19(24-3)12-8-17/h5-12H,1,13-14H2,2-4H3
InChIKeyVBSWWCHGCHYKCI-UHFFFAOYSA-N
XLogP3.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
methyl 3-[but-3-enyl-[(4-methoxyphenyl)methyl]carbamoyl]but-3-enoate
CID 142669945
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
4-[[carbamoyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 67078697
N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamoyl chloride
CID 164739560
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
CID 54872486
2-(tert-butylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112727502

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate?
The IUPAC name of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate (CID 101441426) is methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate?
The canonical SMILES for methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate is C=C(C(=O)OC)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate?
The InChIKey is VBSWWCHGCHYKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(20(22)25-4)21(13-16-5-9-18(23-2)10-6-16)14-17-7-11-19(24-3)12-8-17/h5-12H,1,13-14H2,2-4H3.
What are the key properties of methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate?
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate has a molecular weight of 341.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate is sourced from PubChem (CID 101441426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).