N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide

C15H21ClN2O5 — CID 95330977

IUPACN-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)N[C@@](C)(COC)C(N)=O)cc1OC
InChIInChI=1S/C15H21ClN2O5/c1-5-23-12-10(16)6-9(7-11(12)22-4)13(19)18-15(2,8-21-3)14(17)20/h6-7H,5,8H2,1-4H3,(H2,17,20)(H,18,19)/t15-/m0/s1
InChIKeySFWCDYLZKIKSLB-HNNXBMFYSA-N
MW344.80 g/mol
LogP1.37
Rot. Bonds8

About N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide

N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide (PubChem CID 95330977) has the molecular formula C15H21ClN2O5 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide
PubChem CID95330977
Molecular FormulaC15H21ClN2O5
Molecular Weight344.80 g/mol
Exact Mass344.11
IUPAC NameN-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)N[C@@](C)(COC)C(N)=O)cc1OC
InChIInChI=1S/C15H21ClN2O5/c1-5-23-12-10(16)6-9(7-11(12)22-4)13(19)18-15(2,8-21-3)14(17)20/h6-7H,5,8H2,1-4H3,(H2,17,20)(H,18,19)/t15-/m0/s1
InChIKeySFWCDYLZKIKSLB-HNNXBMFYSA-N
XLogP1.37
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119597907
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate
CID 30875825
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide (CID 95330977) is N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)N[C@@](C)(COC)C(N)=O)cc1OC.
What is the InChIKey of N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The InChIKey is SFWCDYLZKIKSLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21ClN2O5/c1-5-23-12-10(16)6-9(7-11(12)22-4)13(19)18-15(2,8-21-3)14(17)20/h6-7H,5,8H2,1-4H3,(H2,17,20)(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide?
N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide has a molecular weight of 344.80 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 95330977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).