[5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate

C17H27ClN4O3 — CID 173373116

IUPAC[5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate
SMILESCCC(=NOC)Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC
InChIInChI=1S/C17H27ClN4O3/c1-5-16(21-24-4)25-15-11-14(19)13(18)10-12(15)17(23)20-8-9-22(6-2)7-3/h10-11H,5-9,19H2,1-4H3,(H,20,23)
InChIKeyNYFROVHZZRGRON-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.74
Rot. Bonds9

About [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate

[5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate (PubChem CID 173373116) has the molecular formula C17H27ClN4O3 and a molecular weight of 370.88 g/mol. Its IUPAC name is [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate.

Molecular Properties

Compound Name[5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate
PubChem CID173373116
Molecular FormulaC17H27ClN4O3
Molecular Weight370.88 g/mol
Exact Mass370.18
IUPAC Name[5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate
SMILESCCC(=NOC)Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC
InChIInChI=1S/C17H27ClN4O3/c1-5-16(21-24-4)25-15-11-14(19)13(18)10-12(15)17(23)20-8-9-22(6-2)7-3/h10-11H,5-9,19H2,1-4H3,(H,20,23)
InChIKeyNYFROVHZZRGRON-UHFFFAOYSA-N
XLogP2.74
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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acetic acid;4-amino-2-(2-amino-2-oxoethoxy)-5-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrate
CID 67926077
acetic acid;4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(formamidomethoxy)benzamide
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4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide
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2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
CID 12883877
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide;sulfuric acid
CID 175479725
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate?
The IUPAC name of [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate (CID 173373116) is [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate.
What is the SMILES notation for [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate?
The canonical SMILES for [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate is CCC(=NOC)Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC.
What is the InChIKey of [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate?
The InChIKey is NYFROVHZZRGRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O3/c1-5-16(21-24-4)25-15-11-14(19)13(18)10-12(15)17(23)20-8-9-22(6-2)7-3/h10-11H,5-9,19H2,1-4H3,(H,20,23).
What are the key properties of [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate?
[5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate has a molecular weight of 370.88 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate is sourced from PubChem (CID 173373116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).