4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide

C16H23ClN2O4 — CID 120589868

IUPAC4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C16H23ClN2O4/c1-21-13(9-18)8-16(20)19-14-7-11(17)4-5-15(14)23-10-12-3-2-6-22-12/h4-5,7,12-13H,2-3,6,8-10,18H2,1H3,(H,19,20)
InChIKeyIFYKTMXMNRVQAF-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.20
Rot. Bonds8

About 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide

4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide (PubChem CID 120589868) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
PubChem CID120589868
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Name4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C16H23ClN2O4/c1-21-13(9-18)8-16(20)19-14-7-11(17)4-5-15(14)23-10-12-3-2-6-22-12/h4-5,7,12-13H,2-3,6,8-10,18H2,1H3,(H,19,20)
InChIKeyIFYKTMXMNRVQAF-UHFFFAOYSA-N
XLogP2.20
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119743221
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 120588275
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119743213
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119743204
3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 76869524
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60575055

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide (CID 120589868) is 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cc(Cl)ccc1OCC1CCCO1.
What is the InChIKey of 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide?
The InChIKey is IFYKTMXMNRVQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-21-13(9-18)8-16(20)19-14-7-11(17)4-5-15(14)23-10-12-3-2-6-22-12/h4-5,7,12-13H,2-3,6,8-10,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide?
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide has a molecular weight of 342.82 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120589868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).