N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide

C13H20N2O4 — CID 98541747

IUPACN-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)N[C@@H](C)CN)cc1OC
InChIInChI=1S/C13H20N2O4/c1-8(7-14)15-13(16)9-5-11(18-3)12(19-4)6-10(9)17-2/h5-6,8H,7,14H2,1-4H3,(H,15,16)/t8-/m0/s1
InChIKeyGOYAHMIIDOORDY-QMMMGPOBSA-N
MW268.31 g/mol
LogP0.79
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide

N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide (PubChem CID 98541747) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
PubChem CID98541747
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)N[C@@H](C)CN)cc1OC
InChIInChI=1S/C13H20N2O4/c1-8(7-14)15-13(16)9-5-11(18-3)12(19-4)6-10(9)17-2/h5-6,8H,7,14H2,1-4H3,(H,15,16)/t8-/m0/s1
InChIKeyGOYAHMIIDOORDY-QMMMGPOBSA-N
XLogP0.79
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733093
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
4-amino-3-methyl-1-(2,4,5-trimethoxyphenyl)butan-1-one
CID 116916153
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
N-ethoxy-2,4,5-trimethoxybenzamide
CID 46536432
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide (CID 98541747) is N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)N[C@@H](C)CN)cc1OC.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide?
The InChIKey is GOYAHMIIDOORDY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(7-14)15-13(16)9-5-11(18-3)12(19-4)6-10(9)17-2/h5-6,8H,7,14H2,1-4H3,(H,15,16)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide?
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide has a molecular weight of 268.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 98541747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).