4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide

C14H20ClN3O4 — CID 119584039

IUPAC4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C(C)CN)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C14H20ClN3O4/c1-8(6-16)18(2)14(20)9-4-10(15)13(11(5-9)21-3)22-7-12(17)19/h4-5,8H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyZTNXSMKWLCNXQU-UHFFFAOYSA-N
MW329.78 g/mol
LogP0.63
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide (PubChem CID 119584039) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
PubChem CID119584039
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C(C)CN)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C14H20ClN3O4/c1-8(6-16)18(2)14(20)9-4-10(15)13(11(5-9)21-3)22-7-12(17)19/h4-5,8H,6-7,16H2,1-3H3,(H2,17,19)
InChIKeyZTNXSMKWLCNXQU-UHFFFAOYSA-N
XLogP0.63
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
CID 119660135
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
CID 119585328
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide
CID 55916919
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide (CID 119584039) is 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)C(C)CN)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide?
The InChIKey is ZTNXSMKWLCNXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4/c1-8(6-16)18(2)14(20)9-4-10(15)13(11(5-9)21-3)22-7-12(17)19/h4-5,8H,6-7,16H2,1-3H3,(H2,17,19).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide?
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide has a molecular weight of 329.78 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 119584039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).