N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide

C19H30N2O3 — CID 10042533

IUPACN-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide
SMILESCCOC(C(C)C)N(/N=C/C(C)C)C(=O)COCc1ccccc1
InChIInChI=1S/C19H30N2O3/c1-6-24-19(16(4)5)21(20-12-15(2)3)18(22)14-23-13-17-10-8-7-9-11-17/h7-12,15-16,19H,6,13-14H2,1-5H3/b20-12+
InChIKeyIUZFWNBPSHKYFF-UDWIEESQSA-N
MW334.46 g/mol
LogP3.69
Rot. Bonds10

About N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide

N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide (PubChem CID 10042533) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide
PubChem CID10042533
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide
SMILESCCOC(C(C)C)N(/N=C/C(C)C)C(=O)COCc1ccccc1
InChIInChI=1S/C19H30N2O3/c1-6-24-19(16(4)5)21(20-12-15(2)3)18(22)14-23-13-17-10-8-7-9-11-17/h7-12,15-16,19H,6,13-14H2,1-5H3/b20-12+
InChIKeyIUZFWNBPSHKYFF-UDWIEESQSA-N
XLogP3.69
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-phenylmethoxyacetamide
CID 134054246
benzyl 2-methyl-3-oxo-4-phenylmethoxybutanoate
CID 11045191
3,5-dimethyl-1-phenylmethoxyhexane-2,4-dione
CID 11448025
acetic acid;phenylmethoxymethylbenzene
CID 175214238
(213C)ethoxymethylbenzene
CID 87947851
[3-[[[(2S)-butan-2-yl]-(2-phenylmethoxyacetyl)amino]methyl]phenyl] methanesulfonate
CID 7127157
[(2R,3S)-1,3-bis(phenylmethoxy)pentan-2-yl] 2-phenylmethoxyacetate
CID 70649765
2-phenylmethoxy-1-(2-propan-2-ylphenyl)ethanone
CID 146007162
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
2-methyl-3-(phenylmethoxyamino)propanoic acid
CID 21019710

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide?
The IUPAC name of N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide (CID 10042533) is N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide?
The canonical SMILES for N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide is CCOC(C(C)C)N(/N=C/C(C)C)C(=O)COCc1ccccc1.
What is the InChIKey of N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide?
The InChIKey is IUZFWNBPSHKYFF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-6-24-19(16(4)5)21(20-12-15(2)3)18(22)14-23-13-17-10-8-7-9-11-17/h7-12,15-16,19H,6,13-14H2,1-5H3/b20-12+.
What are the key properties of N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide?
N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide has a molecular weight of 334.46 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2-methylpropyl)-N-[(E)-2-methylpropylideneamino]-2-phenylmethoxyacetamide is sourced from PubChem (CID 10042533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).