3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide

C17H29N3O — CID 39112436

IUPAC3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide
SMILESCCN(CC)c1ccc(CCC(=O)NCC(C)C)cc1N
InChIInChI=1S/C17H29N3O/c1-5-20(6-2)16-9-7-14(11-15(16)18)8-10-17(21)19-12-13(3)4/h7,9,11,13H,5-6,8,10,12,18H2,1-4H3,(H,19,21)
InChIKeyVRMFPULIRSVBJZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.82
Rot. Bonds8

About 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide

3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide (PubChem CID 39112436) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide
PubChem CID39112436
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide
SMILESCCN(CC)c1ccc(CCC(=O)NCC(C)C)cc1N
InChIInChI=1S/C17H29N3O/c1-5-20(6-2)16-9-7-14(11-15(16)18)8-10-17(21)19-12-13(3)4/h7,9,11,13H,5-6,8,10,12,18H2,1-4H3,(H,19,21)
InChIKeyVRMFPULIRSVBJZ-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide
CID 39112432
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
CID 39131020
3-[3-amino-4-(diethylamino)phenyl]-1-(azepan-1-yl)propan-1-one
CID 39113473
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18432255
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
CID 94262385
1-N,1-N-diethyl-4-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 39415951
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide (CID 39112436) is 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide is CCN(CC)c1ccc(CCC(=O)NCC(C)C)cc1N.
What is the InChIKey of 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide?
The InChIKey is VRMFPULIRSVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-20(6-2)16-9-7-14(11-15(16)18)8-10-17(21)19-12-13(3)4/h7,9,11,13H,5-6,8,10,12,18H2,1-4H3,(H,19,21).
What are the key properties of 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide?
3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide has a molecular weight of 291.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 39112436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).