1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one

C14H21NO3 — CID 82101101

IUPAC1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)C(C)NC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,15H,1-5H3
InChIKeyNVUGHZUERMXRBI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one

1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one (PubChem CID 82101101) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
PubChem CID82101101
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)C(C)NC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,15H,1-5H3
InChIKeyNVUGHZUERMXRBI-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]carbamoperoxoate
CID 141070388
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
methyl 2-chloro-3-(2,5-dimethoxyphenyl)-3-oxopropanoate
CID 112513730
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
CID 82101102
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 46307670
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one (CID 82101101) is 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one is COc1ccc(OC)c(C(=O)C(C)NC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one?
The InChIKey is NVUGHZUERMXRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,15H,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one?
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 82101101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).