2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide

C19H28N2O4 — CID 94797465

IUPAC2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
SMILESCCC[C@@H]1CCCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1
InChIInChI=1S/C19H28N2O4/c1-3-5-14-6-4-10-21(11-9-14)19(23)15-7-8-16(17(12-15)24-2)25-13-18(20)22/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H2,20,22)/t14-/m1/s1
InChIKeySWJZNJJCIQLQRX-CQSZACIVSA-N
MW348.44 g/mol
LogP2.60
Rot. Bonds7

About 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide

2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide (PubChem CID 94797465) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
PubChem CID94797465
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
SMILESCCC[C@@H]1CCCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1
InChIInChI=1S/C19H28N2O4/c1-3-5-14-6-4-10-21(11-9-14)19(23)15-7-8-16(17(12-15)24-2)25-13-18(20)22/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H2,20,22)/t14-/m1/s1
InChIKeySWJZNJJCIQLQRX-CQSZACIVSA-N
XLogP2.60
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-propylazepan-1-yl)methanone
CID 62078417
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
[4-(2-cyclohexylethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 168948500
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
(3-aminopiperidin-1-yl)-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119379632
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112696542
2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 119380963
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide (CID 94797465) is 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide is CCC[C@@H]1CCCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1.
What is the InChIKey of 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide?
The InChIKey is SWJZNJJCIQLQRX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-5-14-6-4-10-21(11-9-14)19(23)15-7-8-16(17(12-15)24-2)25-13-18(20)22/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H2,20,22)/t14-/m1/s1.
What are the key properties of 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide?
2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 94797465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).