(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide

C24H39IN2O4 — CID 139125259

IUPAC(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)Oc1cccc(O[C@H](C)C(=O)N(C(C)C)C(C)C)c1I)C(C)C
InChIInChI=1S/C24H39IN2O4/c1-14(2)26(15(3)4)23(28)18(9)30-20-12-11-13-21(22(20)25)31-19(10)24(29)27(16(5)6)17(7)8/h11-19H,1-10H3/t18-,19-/m1/s1
InChIKeyMVSWVJIAWBCSLA-RTBURBONSA-N
MW546.49 g/mol
LogP5.12
Rot. Bonds10

About (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide

(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide (PubChem CID 139125259) has the molecular formula C24H39IN2O4 and a molecular weight of 546.49 g/mol. Its IUPAC name is (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide
PubChem CID139125259
Molecular FormulaC24H39IN2O4
Molecular Weight546.49 g/mol
Exact Mass546.20
IUPAC Name(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)Oc1cccc(O[C@H](C)C(=O)N(C(C)C)C(C)C)c1I)C(C)C
InChIInChI=1S/C24H39IN2O4/c1-14(2)26(15(3)4)23(28)18(9)30-20-12-11-13-21(22(20)25)31-19(10)24(29)27(16(5)6)17(7)8/h11-19H,1-10H3/t18-,19-/m1/s1
InChIKeyMVSWVJIAWBCSLA-RTBURBONSA-N
XLogP5.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
(2R)-2-(2,3,4,5,6-pentafluorophenoxy)-N,N-di(propan-2-yl)propanamide
CID 51962853
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
ethyl (E,4R)-4-(2-iodo-3-methoxyphenoxy)-3-methylpent-2-enoate
CID 166439341
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200838
ethyl 3-(3-hydroxy-2-iodophenoxy)-2-methylidenebutanoate
CID 101262982
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
CID 62034536
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea
CID 155217818

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide (CID 139125259) is (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@@H](C)Oc1cccc(O[C@H](C)C(=O)N(C(C)C)C(C)C)c1I)C(C)C.
What is the InChIKey of (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide?
The InChIKey is MVSWVJIAWBCSLA-RTBURBONSA-N. The full InChI is InChI=1S/C24H39IN2O4/c1-14(2)26(15(3)4)23(28)18(9)30-20-12-11-13-21(22(20)25)31-19(10)24(29)27(16(5)6)17(7)8/h11-19H,1-10H3/t18-,19-/m1/s1.
What are the key properties of (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide?
(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide has a molecular weight of 546.49 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 139125259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).