2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C19H29F3N4O2 — CID 111671054

IUPAC2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCC(C)COCc1ccccc1
InChIInChI=1S/C19H29F3N4O2/c1-4-23-18(25-11-17(27)26(3)14-19(20,21)22)24-10-15(2)12-28-13-16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H2,23,24,25)
InChIKeyYXOQMFLGJZIUGC-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.42
Rot. Bonds10

About 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111671054) has the molecular formula C19H29F3N4O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111671054
Molecular FormulaC19H29F3N4O2
Molecular Weight402.46 g/mol
Exact Mass402.22
IUPAC Name2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCC(C)COCc1ccccc1
InChIInChI=1S/C19H29F3N4O2/c1-4-23-18(25-11-17(27)26(3)14-19(20,21)22)24-10-15(2)12-28-13-16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H2,23,24,25)
InChIKeyYXOQMFLGJZIUGC-UHFFFAOYSA-N
XLogP2.42
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111671054) is 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCC(C)COCc1ccccc1.
What is the InChIKey of 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YXOQMFLGJZIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4O2/c1-4-23-18(25-11-17(27)26(3)14-19(20,21)22)24-10-15(2)12-28-13-16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 402.46 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111671054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).