3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide

C17H29N3O2 — CID 94759123

IUPAC3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(C)COc1ccc(CCC(=O)NCCN(C)C)cc1N
InChIInChI=1S/C17H29N3O2/c1-13(2)12-22-16-7-5-14(11-15(16)18)6-8-17(21)19-9-10-20(3)4/h5,7,11,13H,6,8-10,12,18H2,1-4H3,(H,19,21)
InChIKeyMVKRKLBMSGGKFA-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.91
Rot. Bonds9

About 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide

3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 94759123) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID94759123
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(C)COc1ccc(CCC(=O)NCCN(C)C)cc1N
InChIInChI=1S/C17H29N3O2/c1-13(2)12-22-16-7-5-14(11-15(16)18)6-8-17(21)19-9-10-20(3)4/h5,7,11,13H,6,8-10,12,18H2,1-4H3,(H,19,21)
InChIKeyMVKRKLBMSGGKFA-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 11960435
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-[3-amino-4-(2-methylpropoxy)phenyl]-1-piperidin-1-ylpropan-1-one
CID 82153351
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide (CID 94759123) is 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide is CC(C)COc1ccc(CCC(=O)NCCN(C)C)cc1N.
What is the InChIKey of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is MVKRKLBMSGGKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)12-22-16-7-5-14(11-15(16)18)6-8-17(21)19-9-10-20(3)4/h5,7,11,13H,6,8-10,12,18H2,1-4H3,(H,19,21).
What are the key properties of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide?
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 94759123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).