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

C20H31IN2O2 — CID 58534764

IUPAC(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide
SMILESCc1cc(I)ccc1NC(=O)C(OC(C)C)[C@H](N)CC1CCCCC1
InChIInChI=1S/C20H31IN2O2/c1-13(2)25-19(17(22)12-15-7-5-4-6-8-15)20(24)23-18-10-9-16(21)11-14(18)3/h9-11,13,15,17,19H,4-8,12,22H2,1-3H3,(H,23,24)/t17-,19?/m1/s1
InChIKeyUFNFLIUSJQMLSH-DUSLRRAJSA-N
MW458.38 g/mol
LogP4.63
Rot. Bonds7

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

(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide (PubChem CID 58534764) has the molecular formula C20H31IN2O2 and a molecular weight of 458.38 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide
PubChem CID58534764
Molecular FormulaC20H31IN2O2
Molecular Weight458.38 g/mol
Exact Mass458.14
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide
SMILESCc1cc(I)ccc1NC(=O)C(OC(C)C)[C@H](N)CC1CCCCC1
InChIInChI=1S/C20H31IN2O2/c1-13(2)25-19(17(22)12-15-7-5-4-6-8-15)20(24)23-18-10-9-16(21)11-14(18)3/h9-11,13,15,17,19H,4-8,12,22H2,1-3H3,(H,23,24)/t17-,19?/m1/s1
InChIKeyUFNFLIUSJQMLSH-DUSLRRAJSA-N
XLogP4.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide
CID 70641053
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide
CID 58534691
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
CID 119955707
N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
CID 47224422
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 82961519
3-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N,4-dimethylbenzamide
CID 146143095

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide (CID 58534764) is (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide is Cc1cc(I)ccc1NC(=O)C(OC(C)C)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide?
The InChIKey is UFNFLIUSJQMLSH-DUSLRRAJSA-N. The full InChI is InChI=1S/C20H31IN2O2/c1-13(2)25-19(17(22)12-15-7-5-4-6-8-15)20(24)23-18-10-9-16(21)11-14(18)3/h9-11,13,15,17,19H,4-8,12,22H2,1-3H3,(H,23,24)/t17-,19?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide has a molecular weight of 458.38 g/mol, XLogP of 4.63, 7 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-propan-2-yloxybutanamide is sourced from PubChem (CID 58534764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).