2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

C21H30N4O — CID 110038035

IUPAC2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H30N4O/c1-6-15(2)23-21(22-14-20(26)25(4)5)24-16(3)18-13-9-11-17-10-7-8-12-19(17)18/h7-13,15-16H,6,14H2,1-5H3,(H2,22,23,24)
InChIKeySSDKIXHYWMPHHT-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.32
Rot. Bonds6

About 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110038035) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110038035
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H30N4O/c1-6-15(2)23-21(22-14-20(26)25(4)5)24-16(3)18-13-9-11-17-10-7-8-12-19(17)18/h7-13,15-16H,6,14H2,1-5H3,(H2,22,23,24)
InChIKeySSDKIXHYWMPHHT-UHFFFAOYSA-N
XLogP3.32
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492138
2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111501072
2-[[(butan-2-ylamino)-(2,2-diphenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545375
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[[(butan-2-ylamino)-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111545459
2-[[(butan-2-ylamino)-[2-(2-chlorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545084
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492032
2-[[[benzyl(methyl)amino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111492665
2-[[(butan-2-ylamino)-[2-(3-chlorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111545461
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110038035) is 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1cccc2ccccc12.
What is the InChIKey of 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is SSDKIXHYWMPHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-6-15(2)23-21(22-14-20(26)25(4)5)24-16(3)18-13-9-11-17-10-7-8-12-19(17)18/h7-13,15-16H,6,14H2,1-5H3,(H2,22,23,24).
What are the key properties of 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 354.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110038035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).