2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide

C15H19IN2O — CID 154944123

IUPAC2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
SMILESNC(C(=O)Nc1ccc(I)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C15H19IN2O/c16-11-5-7-12(8-6-11)18-15(19)14(17)13(9-1-2-9)10-3-4-10/h5-10,13-14H,1-4,17H2,(H,18,19)
InChIKeyXXDSFUCEMVFQIL-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide

2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide (PubChem CID 154944123) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
PubChem CID154944123
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
SMILESNC(C(=O)Nc1ccc(I)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C15H19IN2O/c16-11-5-7-12(8-6-11)18-15(19)14(17)13(9-1-2-9)10-3-4-10/h5-10,13-14H,1-4,17H2,(H,18,19)
InChIKeyXXDSFUCEMVFQIL-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.99
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

(2S)-2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
CID 149303159
2-amino-3,3-dicyclopropyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanamide
CID 167148891
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethylimidazol-4-yl)phenyl]propanamide
CID 154953624
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
(2S)-N-[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]-2-amino-3,3-dicyclopropylpropanamide
CID 177368511
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
2-(dimethylamino)-N-(4-iodophenyl)propanamide
CID 91154002
N-(4-iodophenyl)acetamide
CID 12147

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide?
The IUPAC name of 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide (CID 154944123) is 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide?
The canonical SMILES for 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide is NC(C(=O)Nc1ccc(I)cc1)C(C1CC1)C1CC1.
What is the InChIKey of 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide?
The InChIKey is XXDSFUCEMVFQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c16-11-5-7-12(8-6-11)18-15(19)14(17)13(9-1-2-9)10-3-4-10/h5-10,13-14H,1-4,17H2,(H,18,19).
What are the key properties of 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide?
2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide has a molecular weight of 370.23 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 154944123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).