2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride

C16H29Cl2N3O — CID 119860539

IUPAC2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-4-19(5-2)12-13(3)18-16(20)15(17)11-14-9-7-6-8-10-14;;/h6-10,13,15H,4-5,11-12,17H2,1-3H3,(H,18,20);2*1H
InChIKeyCDZSFCFMPIGMGA-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.25
Rot. Bonds8

About 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119860539) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
PubChem CID119860539
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC Name2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-4-19(5-2)12-13(3)18-16(20)15(17)11-14-9-7-6-8-10-14;;/h6-10,13,15H,4-5,11-12,17H2,1-3H3,(H,18,20);2*1H
InChIKeyCDZSFCFMPIGMGA-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
CID 113264230
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride (CID 119860539) is 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride is CCN(CC)CC(C)NC(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is CDZSFCFMPIGMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-4-19(5-2)12-13(3)18-16(20)15(17)11-14-9-7-6-8-10-14;;/h6-10,13,15H,4-5,11-12,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119860539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).