3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide

C18H29N3O2 — CID 119868894

IUPAC3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCN1CCOC(C)(C)C1)C(N)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-14(16(19)15-7-5-4-6-8-15)17(22)20-9-10-21-11-12-23-18(2,3)13-21/h4-8,14,16H,9-13,19H2,1-3H3,(H,20,22)
InChIKeyFHXZCGMRVBHOJS-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.55
Rot. Bonds6

About 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119868894) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide
PubChem CID119868894
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCN1CCOC(C)(C)C1)C(N)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-14(16(19)15-7-5-4-6-8-15)17(22)20-9-10-21-11-12-23-18(2,3)13-21/h4-8,14,16H,9-13,19H2,1-3H3,(H,20,22)
InChIKeyFHXZCGMRVBHOJS-UHFFFAOYSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119868874
(2S)-2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-methylpentanamide
CID 119868946
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119850097
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
CID 119901081
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
3-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenylpropanamide
CID 119851584
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767629
N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 62570408

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide (CID 119868894) is 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCCN1CCOC(C)(C)C1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is FHXZCGMRVBHOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(16(19)15-7-5-4-6-8-15)17(22)20-9-10-21-11-12-23-18(2,3)13-21/h4-8,14,16H,9-13,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119868894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).