2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide

C19H27ClN2O5 — CID 119125753

IUPAC2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide
SMILESCCCOC1CCCN(C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1
InChIInChI=1S/C19H27ClN2O5/c1-3-9-26-14-5-4-7-22(8-6-14)19(24)13-10-15(20)18(16(11-13)25-2)27-12-17(21)23/h10-11,14H,3-9,12H2,1-2H3,(H2,21,23)
InChIKeyQXKMDKLYDCTAEP-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.63
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide

2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide (PubChem CID 119125753) has the molecular formula C19H27ClN2O5 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide
PubChem CID119125753
Molecular FormulaC19H27ClN2O5
Molecular Weight398.89 g/mol
Exact Mass398.16
IUPAC Name2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide
SMILESCCCOC1CCCN(C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1
InChIInChI=1S/C19H27ClN2O5/c1-3-9-26-14-5-4-7-22(8-6-14)19(24)13-10-15(20)18(16(11-13)25-2)27-12-17(21)23/h10-11,14H,3-9,12H2,1-2H3,(H2,21,23)
InChIKeyQXKMDKLYDCTAEP-UHFFFAOYSA-N
XLogP2.63
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(4-butoxy-3-chloro-5-methoxyphenyl)methanone
CID 119664059
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285
(4-aminopiperidin-1-yl)-(4-butoxy-3-chloro-5-methoxyphenyl)methanone;hydrochloride
CID 119376097
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119662351
2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
CID 119651087
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
CID 24637988
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
[4-(1-aminoethyl)piperidin-1-yl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 119518016
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-chloro-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 120815276

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide (CID 119125753) is 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide is CCCOC1CCCN(C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide?
The InChIKey is QXKMDKLYDCTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O5/c1-3-9-26-14-5-4-7-22(8-6-14)19(24)13-10-15(20)18(16(11-13)25-2)27-12-17(21)23/h10-11,14H,3-9,12H2,1-2H3,(H2,21,23).
What are the key properties of 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide has a molecular weight of 398.89 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 119125753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).