(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide

C17H24N2O4 — CID 97007840

IUPAC(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
SMILESCc1ccccc1OCCCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1
InChIInChI=1S/C17H24N2O4/c1-12-5-2-3-6-14(12)22-10-4-7-16(20)19-11-13-8-9-15(23-13)17(18)21/h2-3,5-6,13,15H,4,7-11H2,1H3,(H2,18,21)(H,19,20)/t13-,15-/m0/s1
InChIKeyIINBZHVRGQUDIT-ZFWWWQNUSA-N
MW320.39 g/mol
LogP1.30
Rot. Bonds8

About (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide

(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide (PubChem CID 97007840) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
PubChem CID97007840
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
SMILESCc1ccccc1OCCCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1
InChIInChI=1S/C17H24N2O4/c1-12-5-2-3-6-14(12)22-10-4-7-16(20)19-11-13-8-9-15(23-13)17(18)21/h2-3,5-6,13,15H,4,7-11H2,1H3,(H2,18,21)(H,19,20)/t13-,15-/m0/s1
InChIKeyIINBZHVRGQUDIT-ZFWWWQNUSA-N
XLogP1.30
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.30
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

(2R,5R)-5-[[4-(2-nitroanilino)butanoylamino]methyl]oxolane-2-carboxamide
CID 97014333
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-(2-amino-1-cyclopropylethyl)-4-(2-methylphenoxy)butanamide
CID 119617616
4-[[4-(2-chlorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxamide
CID 75534315
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348
4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
CID 47041102
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide (CID 97007840) is (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide is Cc1ccccc1OCCCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1.
What is the InChIKey of (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide?
The InChIKey is IINBZHVRGQUDIT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-5-2-3-6-14(12)22-10-4-7-16(20)19-11-13-8-9-15(23-13)17(18)21/h2-3,5-6,13,15H,4,7-11H2,1H3,(H2,18,21)(H,19,20)/t13-,15-/m0/s1.
What are the key properties of (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide?
(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97007840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).