2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide

C17H32N4O2 — CID 178172512

IUPAC2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide
SMILESCC/C=C\C(CCN(C)C(=O)CNC(=O)CNC(C)(C)C)=N/C
InChIInChI=1S/C17H32N4O2/c1-7-8-9-14(18-5)10-11-21(6)16(23)13-19-15(22)12-20-17(2,3)4/h8-9,20H,7,10-13H2,1-6H3,(H,19,22)/b9-8-,18-14+
InChIKeyUUYZMRVUYVGOPL-HLSHHOIKSA-N
MW324.47 g/mol
LogP1.38
Rot. Bonds9

About 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide

2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide (PubChem CID 178172512) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide
PubChem CID178172512
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide
SMILESCC/C=C\C(CCN(C)C(=O)CNC(=O)CNC(C)(C)C)=N/C
InChIInChI=1S/C17H32N4O2/c1-7-8-9-14(18-5)10-11-21(6)16(23)13-19-15(22)12-20-17(2,3)4/h8-9,20H,7,10-13H2,1-6H3,(H,19,22)/b9-8-,18-14+
InChIKeyUUYZMRVUYVGOPL-HLSHHOIKSA-N
XLogP1.38
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
CID 178172502
2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide
CID 178172696
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 178172503

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide (CID 178172512) is 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide is CC/C=C\C(CCN(C)C(=O)CNC(=O)CNC(C)(C)C)=N/C.
What is the InChIKey of 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide?
The InChIKey is UUYZMRVUYVGOPL-HLSHHOIKSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-7-8-9-14(18-5)10-11-21(6)16(23)13-19-15(22)12-20-17(2,3)4/h8-9,20H,7,10-13H2,1-6H3,(H,19,22)/b9-8-,18-14+.
What are the key properties of 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide?
2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-[methyl-[(Z)-3-methyliminohept-4-enyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 178172512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).