(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide

C18H26N2O3 — CID 97241017

IUPAC(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCCC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1
InChIInChI=1S/C18H26N2O3/c1-4-18(2,3)13-7-5-12(6-8-13)17(22)20-11-14-9-10-15(23-14)16(19)21/h5-8,14-15H,4,9-11H2,1-3H3,(H2,19,21)(H,20,22)/t14-,15+/m0/s1
InChIKeyHUDJNXXWBNUKOG-LSDHHAIUSA-N
MW318.42 g/mol
LogP2.14
Rot. Bonds6

About (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide

(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 97241017) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
PubChem CID97241017
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCCC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1
InChIInChI=1S/C18H26N2O3/c1-4-18(2,3)13-7-5-12(6-8-13)17(22)20-11-14-9-10-15(23-14)16(19)21/h5-8,14-15H,4,9-11H2,1-3H3,(H2,19,21)(H,20,22)/t14-,15+/m0/s1
InChIKeyHUDJNXXWBNUKOG-LSDHHAIUSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119822336
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CID 119946036
5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 75380134
(2R,5S)-5-[[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
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CID 97225767
6-tert-butyl-N-[(5-carbamoyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 102559647
(2S,5R)-5-(aminomethyl)-N-[4-(propylcarbamoyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120788867
(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835307
(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306
(2S,5R)-5-(aminomethyl)-N-[2-[(4-tert-butylbenzoyl)amino]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786305
(2R,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
CID 97225759
(2R,5S)-5-[[[2-(4-chloro-2-fluorophenyl)-2-methylpropanoyl]amino]methyl]oxolane-2-carboxamide
CID 99826918

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide (CID 97241017) is (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide is CCC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1.
What is the InChIKey of (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is HUDJNXXWBNUKOG-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-18(2,3)13-7-5-12(6-8-13)17(22)20-11-14-9-10-15(23-14)16(19)21/h5-8,14-15H,4,9-11H2,1-3H3,(H2,19,21)(H,20,22)/t14-,15+/m0/s1.
What are the key properties of (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide?
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97241017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).