N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide

C15H21ClN2O4 — CID 70801993

IUPACN-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(NC(=O)C1CCOCC1)OCN
InChIInChI=1S/C15H21ClN2O4/c1-20-13-3-2-11(16)8-12(13)15(22-9-17)18-14(19)10-4-6-21-7-5-10/h2-3,8,10,15H,4-7,9,17H2,1H3,(H,18,19)
InChIKeyWOVWDYGDDAOLPO-UHFFFAOYSA-N
MW328.80 g/mol
LogP1.82
Rot. Bonds6

About N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide

N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide (PubChem CID 70801993) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide
PubChem CID70801993
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC NameN-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(NC(=O)C1CCOCC1)OCN
InChIInChI=1S/C15H21ClN2O4/c1-20-13-3-2-11(16)8-12(13)15(22-9-17)18-14(19)10-4-6-21-7-5-10/h2-3,8,10,15H,4-7,9,17H2,1H3,(H,18,19)
InChIKeyWOVWDYGDDAOLPO-UHFFFAOYSA-N
XLogP1.82
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 119798178
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
[1-(5-chloro-2-methoxyphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266240
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-[(2S)-1-(3-fluoro-4-methoxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175589
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178

Frequently Asked Questions

What is the IUPAC name of N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide (CID 70801993) is N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide is COc1ccc(Cl)cc1C(NC(=O)C1CCOCC1)OCN.
What is the InChIKey of N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide?
The InChIKey is WOVWDYGDDAOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-20-13-3-2-11(16)8-12(13)15(22-9-17)18-14(19)10-4-6-21-7-5-10/h2-3,8,10,15H,4-7,9,17H2,1H3,(H,18,19).
What are the key properties of N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide?
N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[aminomethoxy-(5-chloro-2-methoxyphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 70801993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).