(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide

C13H19IN2O — CID 88940035

IUPAC(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(C)[C@@H](NI)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H19IN2O/c1-9(2)12(16-14)13(17)15-10(3)11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyHDKHBLNYXNEDTK-CMPLNLGQSA-N
MW346.21 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide

(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 88940035) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID88940035
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(C)[C@@H](NI)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H19IN2O/c1-9(2)12(16-14)13(17)15-10(3)11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyHDKHBLNYXNEDTK-CMPLNLGQSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide
CID 40714921
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 88940035) is (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide is CC(C)[C@@H](NI)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is HDKHBLNYXNEDTK-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-9(2)12(16-14)13(17)15-10(3)11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)/t10-,12+/m0/s1.
What are the key properties of (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 346.21 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 88940035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).