3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide

C14H22N2O2 — CID 116850305

IUPAC3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(C(N)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)18-12-7-5-11(6-8-12)13(15)9-14(17)16(3)4/h5-8,10,13H,9,15H2,1-4H3
InChIKeyHRVWODRQMGDLJX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide

3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 116850305) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID116850305
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(C(N)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)18-12-7-5-11(6-8-12)13(15)9-14(17)16(3)4/h5-8,10,13H,9,15H2,1-4H3
InChIKeyHRVWODRQMGDLJX-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
3-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 83618663
2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
CID 30078683
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
methyl 5-amino-5-(4-propan-2-yloxyphenyl)pentanoate
CID 54927572
methyl 4-amino-2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butanoate
CID 65298635
1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116905586
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide (CID 116850305) is 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(C(N)CC(=O)N(C)C)cc1.
What is the InChIKey of 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is HRVWODRQMGDLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)18-12-7-5-11(6-8-12)13(15)9-14(17)16(3)4/h5-8,10,13H,9,15H2,1-4H3.
What are the key properties of 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide?
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 116850305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).