2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide

C11H18I2N2O3 — CID 118136970

IUPAC2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
SMILESCC(=O)[C@H](CCCCNC(=O)CI)NC(=O)CI
InChIInChI=1S/C11H18I2N2O3/c1-8(16)9(15-11(18)7-13)4-2-3-5-14-10(17)6-12/h9H,2-7H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyHOHDNRVPPHQBAW-VIFPVBQESA-N
MW480.08 g/mol
LogP1.22
Rot. Bonds9

About 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide

2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide (PubChem CID 118136970) has the molecular formula C11H18I2N2O3 and a molecular weight of 480.08 g/mol. Its IUPAC name is 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide.

Molecular Properties

Compound Name2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
PubChem CID118136970
Molecular FormulaC11H18I2N2O3
Molecular Weight480.08 g/mol
Exact Mass479.94
IUPAC Name2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
SMILESCC(=O)[C@H](CCCCNC(=O)CI)NC(=O)CI
InChIInChI=1S/C11H18I2N2O3/c1-8(16)9(15-11(18)7-13)4-2-3-5-14-10(17)6-12/h9H,2-7H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyHOHDNRVPPHQBAW-VIFPVBQESA-N
XLogP1.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.08
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-[(2-iodoacetyl)amino]hexanoyl]amino]hexanamide
CID 134131007
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
(2S)-N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-bis[(2-iodoacetyl)amino]pentanamide
CID 89037484
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
N-(6,6-dihydroxy-5-methylhexyl)-2-iodoacetamide
CID 138744973
N-(6-acetamidohexyl)-2-iodoacetamide
CID 89340654
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
2,6-bis(hexanoylamino)-N-[7-(hexylamino)-2-oxoheptan-3-yl]hexanamide
CID 118183467
(4S)-4-[[(1S)-1-carboxy-5-(propanoylamino)pentyl]carbamoylamino]-5-oxohexanoic acid
CID 170409546
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
2,6-bis(4-oxopentanoylamino)hexanoic acid
CID 59434222

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide?
The IUPAC name of 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide (CID 118136970) is 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide.
What is the SMILES notation for 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide?
The canonical SMILES for 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide is CC(=O)[C@H](CCCCNC(=O)CI)NC(=O)CI.
What is the InChIKey of 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide?
The InChIKey is HOHDNRVPPHQBAW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18I2N2O3/c1-8(16)9(15-11(18)7-13)4-2-3-5-14-10(17)6-12/h9H,2-7H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide?
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide has a molecular weight of 480.08 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide is sourced from PubChem (CID 118136970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).