methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate

C18H25NO5 — CID 144592282

IUPACmethyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate
SMILESC=C(CN(C(=O)OCc1ccccc1)C(C)(C)CC(=O)OC)OC
InChIInChI=1S/C18H25NO5/c1-14(22-4)12-19(18(2,3)11-16(20)23-5)17(21)24-13-15-9-7-6-8-10-15/h6-10H,1,11-13H2,2-5H3
InChIKeyLAIZKSRMNVDDMG-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.13
Rot. Bonds8

About methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate

methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate (PubChem CID 144592282) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate
PubChem CID144592282
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate
SMILESC=C(CN(C(=O)OCc1ccccc1)C(C)(C)CC(=O)OC)OC
InChIInChI=1S/C18H25NO5/c1-14(22-4)12-19(18(2,3)11-16(20)23-5)17(21)24-13-15-9-7-6-8-10-15/h6-10H,1,11-13H2,2-5H3
InChIKeyLAIZKSRMNVDDMG-UHFFFAOYSA-N
XLogP3.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 118284148
benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate
CID 118230381
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl 3,3-dimethoxybutanoate
CID 134185532
iodomethyl 3-[2-[tert-butyl(phenylmethoxycarbonyl)amino]acetyl]oxy-2,2-dimethylpropanoate
CID 54194877
methyl 2-[phenylmethoxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]acetate
CID 11645787
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
benzyl 3,3-dimethylpent-4-enoate
CID 13236797
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate (CID 144592282) is methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate is C=C(CN(C(=O)OCc1ccccc1)C(C)(C)CC(=O)OC)OC.
What is the InChIKey of methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate?
The InChIKey is LAIZKSRMNVDDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-14(22-4)12-19(18(2,3)11-16(20)23-5)17(21)24-13-15-9-7-6-8-10-15/h6-10H,1,11-13H2,2-5H3.
What are the key properties of methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate?
methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate has a molecular weight of 335.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyprop-2-enyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 144592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).