2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide

C14H20ClN3O4 — CID 120991653

IUPAC2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClN3O4/c1-21-8-10(16)14(20)17-6-5-13(19)18-11-7-9(15)3-4-12(11)22-2/h3-4,7,10H,5-6,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySEWWMEMBHHFXTC-UHFFFAOYSA-N
MW329.78 g/mol
LogP0.77
Rot. Bonds8

About 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide

2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide (PubChem CID 120991653) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide
PubChem CID120991653
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC Name2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClN3O4/c1-21-8-10(16)14(20)17-6-5-13(19)18-11-7-9(15)3-4-12(11)22-2/h3-4,7,10H,5-6,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySEWWMEMBHHFXTC-UHFFFAOYSA-N
XLogP0.77
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119815029
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide (CID 120991653) is 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide is COCC(N)C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide?
The InChIKey is SEWWMEMBHHFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4/c1-21-8-10(16)14(20)17-6-5-13(19)18-11-7-9(15)3-4-12(11)22-2/h3-4,7,10H,5-6,8,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide?
2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide has a molecular weight of 329.78 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide is sourced from PubChem (CID 120991653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).