(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide

C18H27IN2O2 — CID 70641053

IUPAC(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide
SMILESCOC(C(=O)Nc1ccc(I)cc1C)[C@H](N)CC1CCCCC1
InChIInChI=1S/C18H27IN2O2/c1-12-10-14(19)8-9-16(12)21-18(22)17(23-2)15(20)11-13-6-4-3-5-7-13/h8-10,13,15,17H,3-7,11,20H2,1-2H3,(H,21,22)/t15-,17?/m1/s1
InChIKeyAKLCMRRBSXCQSN-LDCVWXEPSA-N
MW430.33 g/mol
LogP3.85
Rot. Bonds6

About (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide

(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide (PubChem CID 70641053) has the molecular formula C18H27IN2O2 and a molecular weight of 430.33 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide
PubChem CID70641053
Molecular FormulaC18H27IN2O2
Molecular Weight430.33 g/mol
Exact Mass430.11
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide
SMILESCOC(C(=O)Nc1ccc(I)cc1C)[C@H](N)CC1CCCCC1
InChIInChI=1S/C18H27IN2O2/c1-12-10-14(19)8-9-16(12)21-18(22)17(23-2)15(20)11-13-6-4-3-5-7-13/h8-10,13,15,17H,3-7,11,20H2,1-2H3,(H,21,22)/t15-,17?/m1/s1
InChIKeyAKLCMRRBSXCQSN-LDCVWXEPSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide with MolForge

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Related Compounds

(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide
CID 58534764
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
CID 130340204
N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
CID 47224422
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
CID 119955707
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
CID 10133507
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide (CID 70641053) is (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide is COC(C(=O)Nc1ccc(I)cc1C)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide?
The InChIKey is AKLCMRRBSXCQSN-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H27IN2O2/c1-12-10-14(19)8-9-16(12)21-18(22)17(23-2)15(20)11-13-6-4-3-5-7-13/h8-10,13,15,17H,3-7,11,20H2,1-2H3,(H,21,22)/t15-,17?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide has a molecular weight of 430.33 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide is sourced from PubChem (CID 70641053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).