N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide

C36H61N5O4 — CID 142837606

IUPACN-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide
SMILESC=C(CCC(NC(=C)C(CC(C)C)NC(=O)CC(C)(C)C)C(=C)CC(C)(C)C)OCC1OC(N2C=C(C)C(=C)NC2=O)CC1N
InChIInChI=1S/C36H61N5O4/c1-22(2)16-30(40-32(42)19-36(11,12)13)27(7)38-29(23(3)18-35(8,9)10)15-14-25(5)44-21-31-28(37)17-33(45-31)41-20-24(4)26(6)39-34(41)43/h20,22,28-31,33,38H,3,5-7,14-19,21,37H2,1-2,4,8-13H3,(H,39,43)(H,40,42)
InChIKeyOYMSGWHNIMZJFC-UHFFFAOYSA-N
MW627.92 g/mol
LogP6.61
Rot. Bonds16

About N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide

N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide (PubChem CID 142837606) has the molecular formula C36H61N5O4 and a molecular weight of 627.92 g/mol. Its IUPAC name is N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide
PubChem CID142837606
Molecular FormulaC36H61N5O4
Molecular Weight627.92 g/mol
Exact Mass627.47
IUPAC NameN-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide
SMILESC=C(CCC(NC(=C)C(CC(C)C)NC(=O)CC(C)(C)C)C(=C)CC(C)(C)C)OCC1OC(N2C=C(C)C(=C)NC2=O)CC1N
InChIInChI=1S/C36H61N5O4/c1-22(2)16-30(40-32(42)19-36(11,12)13)27(7)38-29(23(3)18-35(8,9)10)15-14-25(5)44-21-31-28(37)17-33(45-31)41-20-24(4)26(6)39-34(41)43/h20,22,28-31,33,38H,3,5-7,14-19,21,37H2,1-2,4,8-13H3,(H,39,43)(H,40,42)
InChIKeyOYMSGWHNIMZJFC-UHFFFAOYSA-N
XLogP6.61
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.92
LogP ≤ 56.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide (CID 142837606) is N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide is C=C(CCC(NC(=C)C(CC(C)C)NC(=O)CC(C)(C)C)C(=C)CC(C)(C)C)OCC1OC(N2C=C(C)C(=C)NC2=O)CC1N.
What is the InChIKey of N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide?
The InChIKey is OYMSGWHNIMZJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H61N5O4/c1-22(2)16-30(40-32(42)19-36(11,12)13)27(7)38-29(23(3)18-35(8,9)10)15-14-25(5)44-21-31-28(37)17-33(45-31)41-20-24(4)26(6)39-34(41)43/h20,22,28-31,33,38H,3,5-7,14-19,21,37H2,1-2,4,8-13H3,(H,39,43)(H,40,42).
What are the key properties of N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide?
N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide has a molecular weight of 627.92 g/mol, XLogP of 6.61, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 142837606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).