4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide

C16H24N2O4 — CID 120588275

IUPAC4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O4/c1-20-15(10-17)9-16(19)18-12-4-6-13(7-5-12)22-11-14-3-2-8-21-14/h4-7,14-15H,2-3,8-11,17H2,1H3,(H,18,19)
InChIKeyLKTXWZFBVMTWDL-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.55
Rot. Bonds8

About 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide

4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 120588275) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID120588275
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O4/c1-20-15(10-17)9-16(19)18-12-4-6-13(7-5-12)22-11-14-3-2-8-21-14/h4-7,14-15H,2-3,8-11,17H2,1H3,(H,18,19)
InChIKeyLKTXWZFBVMTWDL-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
CID 120592361
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
CID 119949559
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
CID 120589868
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 120588275) is 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide is COC(CN)CC(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is LKTXWZFBVMTWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-15(10-17)9-16(19)18-12-4-6-13(7-5-12)22-11-14-3-2-8-21-14/h4-7,14-15H,2-3,8-11,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide has a molecular weight of 308.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 120588275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).