(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide

C20H29N3O3 — CID 99780914

IUPAC(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(CN3CCCC3)cc2)O1
InChIInChI=1S/C20H29N3O3/c1-22(2)20(25)18-10-9-17(26-18)13-21-19(24)16-7-5-15(6-8-16)14-23-11-3-4-12-23/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,21,24)/t17-,18+/m0/s1
InChIKeySCAWDEVXTXUPDK-ZWKOTPCHSA-N
MW359.47 g/mol
LogP1.65
Rot. Bonds6

About (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide

(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 99780914) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide
PubChem CID99780914
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(CN3CCCC3)cc2)O1
InChIInChI=1S/C20H29N3O3/c1-22(2)20(25)18-10-9-17(26-18)13-21-19(24)16-7-5-15(6-8-16)14-23-11-3-4-12-23/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,21,24)/t17-,18+/m0/s1
InChIKeySCAWDEVXTXUPDK-ZWKOTPCHSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
CID 97256953
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 40819163
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide
CID 90649436
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N,N-dimethyl-2-[[N-(oxan-2-ylmethyl)-N'-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111907935
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide (CID 99780914) is (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide is CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(CN3CCCC3)cc2)O1.
What is the InChIKey of (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is SCAWDEVXTXUPDK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-22(2)20(25)18-10-9-17(26-18)13-21-19(24)16-7-5-15(6-8-16)14-23-11-3-4-12-23/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide?
(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 99780914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).