N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide

C19H35N3O4 — CID 54641414

IUPACN-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
SMILESCN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO
InChIInChI=1S/C19H35N3O4/c1-22(2)12-18(24)21-16-9-8-15(26-17(16)13-23)10-11-20-19(25)14-6-4-3-5-7-14/h14-17,23H,3-13H2,1-2H3,(H,20,25)(H,21,24)/t15-,16-,17+/m1/s1
InChIKeySFZNPDWWPXCWOM-ZACQAIPSSA-N
MW369.51 g/mol
LogP0.66
Rot. Bonds8

About N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide

N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 54641414) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID54641414
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC NameN-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
SMILESCN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO
InChIInChI=1S/C19H35N3O4/c1-22(2)12-18(24)21-16-9-8-15(26-17(16)13-23)10-11-20-19(25)14-6-4-3-5-7-14/h14-17,23H,3-13H2,1-2H3,(H,20,25)(H,21,24)/t15-,16-,17+/m1/s1
InChIKeySFZNPDWWPXCWOM-ZACQAIPSSA-N
XLogP0.66
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645369
N-[2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645451
N-[2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639273
N-[2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639270
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide
CID 54645618
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645512
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54644908
N-[(2S,3S,6R)-6-[2-(cyclohexanecarbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
CID 54643277
N-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-(dimethylamino)acetamide
CID 54642832
N-[(2R,3R,6R)-6-[2-(cyclopentanecarbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
CID 54645634
N-[(2R,3R,6S)-6-[2-(cyclohexanecarbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54639842
N-[(2S,3S,6S)-6-[2-(cyclohexanecarbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54639841

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide (CID 54641414) is N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide is CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO.
What is the InChIKey of N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is SFZNPDWWPXCWOM-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-22(2)12-18(24)21-16-9-8-15(26-17(16)13-23)10-11-20-19(25)14-6-4-3-5-7-14/h14-17,23H,3-13H2,1-2H3,(H,20,25)(H,21,24)/t15-,16-,17+/m1/s1.
What are the key properties of N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 369.51 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5R,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 54641414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).