2-(4-iodoanilino)-N-(3-methylbutyl)propanamide

C14H21IN2O — CID 43112998

IUPAC2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(I)cc1
InChIInChI=1S/C14H21IN2O/c1-10(2)8-9-16-14(18)11(3)17-13-6-4-12(15)5-7-13/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPUTQSPBXPXPSEA-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide

2-(4-iodoanilino)-N-(3-methylbutyl)propanamide (PubChem CID 43112998) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
PubChem CID43112998
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(I)cc1
InChIInChI=1S/C14H21IN2O/c1-10(2)8-9-16-14(18)11(3)17-13-6-4-12(15)5-7-13/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPUTQSPBXPXPSEA-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.25
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

4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
CID 47224746
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide (CID 43112998) is 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Nc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is PUTQSPBXPXPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-10(2)8-9-16-14(18)11(3)17-13-6-4-12(15)5-7-13/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide?
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 360.24 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43112998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).