2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide

C14H21IN2O — CID 113219253

IUPAC2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCc1ccc(NC(C)C(=O)NCC(C)C)cc1I
InChIInChI=1S/C14H21IN2O/c1-9(2)8-16-14(18)11(4)17-12-6-5-10(3)13(15)7-12/h5-7,9,11,17H,8H2,1-4H3,(H,16,18)
InChIKeyKMDINHQNSMTBHN-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.17
Rot. Bonds5

About 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide

2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 113219253) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
PubChem CID113219253
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
SMILESCc1ccc(NC(C)C(=O)NCC(C)C)cc1I
InChIInChI=1S/C14H21IN2O/c1-9(2)8-16-14(18)11(4)17-12-6-5-10(3)13(15)7-12/h5-7,9,11,17H,8H2,1-4H3,(H,16,18)
InChIKeyKMDINHQNSMTBHN-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25350917
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
2-amino-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 104500881
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
3-iodo-4-methyl-N-(5-methylhexan-2-yl)aniline
CID 43716218
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
CID 62637660
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
(2R)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725386
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725387

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide (CID 113219253) is 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide is Cc1ccc(NC(C)C(=O)NCC(C)C)cc1I.
What is the InChIKey of 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is KMDINHQNSMTBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-9(2)8-16-14(18)11(4)17-12-6-5-10(3)13(15)7-12/h5-7,9,11,17H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide?
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 360.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113219253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).