4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide

C16H24N2O3 — CID 66251047

IUPAC4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCCCOCc2ccccc2)COCC1N
InChIInChI=1S/C16H24N2O3/c1-16(12-21-11-14(16)17)15(19)18-8-5-9-20-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,17H2,1H3,(H,18,19)
InChIKeyUMXNXEUDUTWBIT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.07
Rot. Bonds7

About 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide

4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide (PubChem CID 66251047) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide
PubChem CID66251047
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCCCOCc2ccccc2)COCC1N
InChIInChI=1S/C16H24N2O3/c1-16(12-21-11-14(16)17)15(19)18-8-5-9-20-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,17H2,1H3,(H,18,19)
InChIKeyUMXNXEUDUTWBIT-UHFFFAOYSA-N
XLogP1.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
CID 79457673
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
3-phenylpropyl 4-amino-3-methyloxolane-3-carboxylate
CID 66249748
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831
4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66249041
4-amino-N-benzyl-N-cyclopropyl-3-methyloxolane-3-carboxamide
CID 66250990
2,3-dimethyl-4-oxo-4-(3-phenylmethoxypropylamino)butanoic acid
CID 103496536
4-amino-N,3-dimethyl-N-(3-phenylpropyl)oxolane-3-carboxamide
CID 66249430
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide (CID 66251047) is 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide is CC1(C(=O)NCCCOCc2ccccc2)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide?
The InChIKey is UMXNXEUDUTWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(12-21-11-14(16)17)15(19)18-8-5-9-20-10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66251047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).