N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide

C16H24N2O4 — CID 26742207

IUPACN-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)N[C@@H]2CNCCC[C@H]2O)cc1
InChIInChI=1S/C16H24N2O4/c1-21-9-10-22-13-6-4-12(5-7-13)16(20)18-14-11-17-8-2-3-15(14)19/h4-7,14-15,17,19H,2-3,8-11H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyBXECYFNJUFEHAP-HUUCEWRRSA-N
MW308.38 g/mol
LogP0.55
Rot. Bonds6

About N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide

N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide (PubChem CID 26742207) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide
PubChem CID26742207
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)N[C@@H]2CNCCC[C@H]2O)cc1
InChIInChI=1S/C16H24N2O4/c1-21-9-10-22-13-6-4-12(5-7-13)16(20)18-14-11-17-8-2-3-15(14)19/h4-7,14-15,17,19H,2-3,8-11H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyBXECYFNJUFEHAP-HUUCEWRRSA-N
XLogP0.55
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide (CID 26742207) is N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)N[C@@H]2CNCCC[C@H]2O)cc1.
What is the InChIKey of N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide?
The InChIKey is BXECYFNJUFEHAP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-21-9-10-22-13-6-4-12(5-7-13)16(20)18-14-11-17-8-2-3-15(14)19/h4-7,14-15,17,19H,2-3,8-11H2,1H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide?
N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide has a molecular weight of 308.38 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyazepan-3-yl]-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 26742207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).