(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide

C11H21IN2O2 — CID 146233687

IUPAC(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
SMILESCC(C)C(=O)[C@H](CCC(N)=O)N(C)C(C)I
InChIInChI=1S/C11H21IN2O2/c1-7(2)11(16)9(5-6-10(13)15)14(4)8(3)12/h7-9H,5-6H2,1-4H3,(H2,13,15)/t8?,9-/m0/s1
InChIKeyWRMUAFOMWSLEDM-GKAPJAKFSA-N
MW340.21 g/mol
LogP1.56
Rot. Bonds7

About (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide

(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide (PubChem CID 146233687) has the molecular formula C11H21IN2O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide.

Molecular Properties

Compound Name(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
PubChem CID146233687
Molecular FormulaC11H21IN2O2
Molecular Weight340.21 g/mol
Exact Mass340.06
IUPAC Name(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
SMILESCC(C)C(=O)[C@H](CCC(N)=O)N(C)C(C)I
InChIInChI=1S/C11H21IN2O2/c1-7(2)11(16)9(5-6-10(13)15)14(4)8(3)12/h7-9H,5-6H2,1-4H3,(H2,13,15)/t8?,9-/m0/s1
InChIKeyWRMUAFOMWSLEDM-GKAPJAKFSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(dimethylamino)-5-oxohexanamide
CID 59048247
5-amino-2-[iodo-[2-(iodoamino)propanoyl]amino]-5-oxopentanoic acid
CID 166769855
(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
CID 87879167
(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
CID 170423984
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
(4S)-4-amino-5-methylhexanamide
CID 90463437
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
4-(dimethylamino)-2-methylhept-6-en-3-one
CID 10821021
4,7-dimethyloctanamide
CID 16638041

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide?
The IUPAC name of (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide (CID 146233687) is (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide.
What is the SMILES notation for (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide?
The canonical SMILES for (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide is CC(C)C(=O)[C@H](CCC(N)=O)N(C)C(C)I.
What is the InChIKey of (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide?
The InChIKey is WRMUAFOMWSLEDM-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21IN2O2/c1-7(2)11(16)9(5-6-10(13)15)14(4)8(3)12/h7-9H,5-6H2,1-4H3,(H2,13,15)/t8?,9-/m0/s1.
What are the key properties of (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide?
(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide has a molecular weight of 340.21 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide is sourced from PubChem (CID 146233687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).