4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

C16H24N2O4 — CID 126434522

IUPAC4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC[C@H]2CCOC2)ccc1OCCN
InChIInChI=1S/C16H24N2O4/c1-20-15-10-13(2-3-14(15)22-9-6-17)16(19)18-7-4-12-5-8-21-11-12/h2-3,10,12H,4-9,11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyOKBVFNXMSXBVFS-LBPRGKRZSA-N
MW308.38 g/mol
LogP1.19
Rot. Bonds8

About 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide

4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (PubChem CID 126434522) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
PubChem CID126434522
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC[C@H]2CCOC2)ccc1OCCN
InChIInChI=1S/C16H24N2O4/c1-20-15-10-13(2-3-14(15)22-9-6-17)16(19)18-7-4-12-5-8-21-11-12/h2-3,10,12H,4-9,11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyOKBVFNXMSXBVFS-LBPRGKRZSA-N
XLogP1.19
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-(2-aminoethoxy)-3-methoxy-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
CID 118793355
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
4-methoxy-N-[2-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 122570420
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide (CID 126434522) is 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is COc1cc(C(=O)NCC[C@H]2CCOC2)ccc1OCCN.
What is the InChIKey of 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is OKBVFNXMSXBVFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-15-10-13(2-3-14(15)22-9-6-17)16(19)18-7-4-12-5-8-21-11-12/h2-3,10,12H,4-9,11,17H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide?
4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 126434522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).