2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide

C20H34N4O2 — CID 111545171

IUPAC2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)COCc1ccccc1
InChIInChI=1S/C20H34N4O2/c1-6-17(3)23-20(22-13-19(25)24(4)5)21-12-16(2)14-26-15-18-10-8-7-9-11-18/h7-11,16-17H,6,12-15H2,1-5H3,(H2,21,22,23)
InChIKeyJVVZAUVKUZQVEG-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.26
Rot. Bonds10

About 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111545171) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111545171
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)COCc1ccccc1
InChIInChI=1S/C20H34N4O2/c1-6-17(3)23-20(22-13-19(25)24(4)5)21-12-16(2)14-26-15-18-10-8-7-9-11-18/h7-11,16-17H,6,12-15H2,1-5H3,(H2,21,22,23)
InChIKeyJVVZAUVKUZQVEG-UHFFFAOYSA-N
XLogP2.26
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.26
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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Related Compounds

N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(1-phenylethylamino)methylidene]amino]acetamide
CID 111545769
N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 111777508
2-[[(butan-2-ylamino)-(2,2-diphenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545375
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111907559
2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111670931
2-[[(butan-2-ylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110035543
2-[[(butan-2-ylamino)-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034624
2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492138
2-[[(butan-2-ylamino)-(2-ethylbutylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545282
2-[[(butan-2-ylamino)-[2-(3-chlorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111545461
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
2-[[(butan-2-ylamino)-[2-(3-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545076

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111545171) is 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)NCC(C)COCc1ccccc1.
What is the InChIKey of 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is JVVZAUVKUZQVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-6-17(3)23-20(22-13-19(25)24(4)5)21-12-16(2)14-26-15-18-10-8-7-9-11-18/h7-11,16-17H,6,12-15H2,1-5H3,(H2,21,22,23).
What are the key properties of 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 362.52 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111545171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).