N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide

C18H28N2O4 — CID 91842038

IUPACN-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)CC2CCCCO2)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-20(13-15-6-4-5-11-24-15)10-9-18(21)19-16-8-7-14(22-2)12-17(16)23-3/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,19,21)
InChIKeyKHRNUTCOGREZHO-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.53
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide

N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide (PubChem CID 91842038) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
PubChem CID91842038
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)CC2CCCCO2)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-20(13-15-6-4-5-11-24-15)10-9-18(21)19-16-8-7-14(22-2)12-17(16)23-3/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,19,21)
InChIKeyKHRNUTCOGREZHO-UHFFFAOYSA-N
XLogP2.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
CID 56527051
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 97053400
3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 91834866

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide (CID 91842038) is N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide is COc1ccc(NC(=O)CCN(C)CC2CCCCO2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide?
The InChIKey is KHRNUTCOGREZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20(13-15-6-4-5-11-24-15)10-9-18(21)19-16-8-7-14(22-2)12-17(16)23-3/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide?
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide has a molecular weight of 336.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 91842038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).