N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide

C20H34N4O2 — CID 111777508

IUPACN,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NCC(C)COCc1ccccc1
InChIInChI=1S/C20H34N4O2/c1-16(2)11-21-20(23-13-19(25)24(4)5)22-12-17(3)14-26-15-18-9-7-6-8-10-18/h6-10,16-17H,11-15H2,1-5H3,(H2,21,22,23)
InChIKeyYTTAEOKVUFOROH-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.12
Rot. Bonds10

About N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide (PubChem CID 111777508) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
PubChem CID111777508
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NCC(C)COCc1ccccc1
InChIInChI=1S/C20H34N4O2/c1-16(2)11-21-20(23-13-19(25)24(4)5)22-12-17(3)14-26-15-18-9-7-6-8-10-18/h6-10,16-17H,11-15H2,1-5H3,(H2,21,22,23)
InChIKeyYTTAEOKVUFOROH-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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
2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111545171
2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111670931
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111907559
2-methyl-1-(2-methyl-3-phenylmethoxypropyl)-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178273
2-[[ethylamino-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035703
2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
2-[[[(1-benzylpiperidin-4-yl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111180264
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
CID 111494828
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]acetamide
CID 110034229
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide (CID 111777508) is N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide is CC(C)CN/C(=N\CC(=O)N(C)C)NCC(C)COCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide?
The InChIKey is YTTAEOKVUFOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-16(2)11-21-20(23-13-19(25)24(4)5)22-12-17(3)14-26-15-18-9-7-6-8-10-18/h6-10,16-17H,11-15H2,1-5H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide has a molecular weight of 362.52 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111777508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).