N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide

C15H22N2O3 — CID 106911857

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-16-10-11(2)14(18)17-13-6-4-12(5-7-13)15-19-8-9-20-15/h4-7,11,15-16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyKQHCNFGSHMRAPJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds6

About N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide

N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 106911857) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID106911857
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-16-10-11(2)14(18)17-13-6-4-12(5-7-13)15-19-8-9-20-15/h4-7,11,15-16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyKQHCNFGSHMRAPJ-UHFFFAOYSA-N
XLogP1.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide
CID 62853616
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62851819
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylacetamide
CID 110732815
3-(ethylamino)-2-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62853092

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide (CID 106911857) is N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is KQHCNFGSHMRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-16-10-11(2)14(18)17-13-6-4-12(5-7-13)15-19-8-9-20-15/h4-7,11,15-16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 106911857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).