2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide

C20H27N3O2 — CID 120596891

IUPAC2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
SMILESCN(C)CCCOc1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C20H27N3O2/c1-20(21,16-9-5-4-6-10-16)19(24)22-17-11-7-12-18(15-17)25-14-8-13-23(2)3/h4-7,9-12,15H,8,13-14,21H2,1-3H3,(H,22,24)
InChIKeyKASGICSNNDIQMU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.83
Rot. Bonds8

About 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide

2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide (PubChem CID 120596891) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
PubChem CID120596891
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
SMILESCN(C)CCCOc1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C20H27N3O2/c1-20(21,16-9-5-4-6-10-16)19(24)22-17-11-7-12-18(15-17)25-14-8-13-23(2)3/h4-7,9-12,15H,8,13-14,21H2,1-3H3,(H,22,24)
InChIKeyKASGICSNNDIQMU-UHFFFAOYSA-N
XLogP2.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
CID 119885880
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
CID 119885809
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
2-amino-N-[3-(diethylaminomethyl)phenyl]-2-phenylpropanamide
CID 120595517
3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
CID 120587025
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
CID 65173309

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide (CID 120596891) is 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide is CN(C)CCCOc1cccc(NC(=O)C(C)(N)c2ccccc2)c1.
What is the InChIKey of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide?
The InChIKey is KASGICSNNDIQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(21,16-9-5-4-6-10-16)19(24)22-17-11-7-12-18(15-17)25-14-8-13-23(2)3/h4-7,9-12,15H,8,13-14,21H2,1-3H3,(H,22,24).
What are the key properties of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide?
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide has a molecular weight of 341.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide is sourced from PubChem (CID 120596891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).