trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide

C20H31N3O2 — CID 125146554

IUPACtrans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]2N)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-14-11-23(12-15(2)25-14)13-17-7-4-3-6-16(17)10-22-20(24)18-8-5-9-19(18)21/h3-4,6-7,14-15,18-19H,5,8-13,21H2,1-2H3,(H,22,24)/t14-,15+,18-,19-/m1/s1
InChIKeyLMTDQISBHJADIZ-WTLGNFPFSA-N
MW345.49 g/mol
LogP2.04
Rot. Bonds5

About trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide

trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 125146554) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID125146554
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Nametrans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]2N)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-14-11-23(12-15(2)25-14)13-17-7-4-3-6-16(17)10-22-20(24)18-8-5-9-19(18)21/h3-4,6-7,14-15,18-19H,5,8-13,21H2,1-2H3,(H,22,24)/t14-,15+,18-,19-/m1/s1
InChIKeyLMTDQISBHJADIZ-WTLGNFPFSA-N
XLogP2.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832
trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 124700217
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124694508
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide (CID 125146554) is trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide is C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]2N)C[C@H](C)O1.
What is the InChIKey of trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is LMTDQISBHJADIZ-WTLGNFPFSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-11-23(12-15(2)25-14)13-17-7-4-3-6-16(17)10-22-20(24)18-8-5-9-19(18)21/h3-4,6-7,14-15,18-19H,5,8-13,21H2,1-2H3,(H,22,24)/t14-,15+,18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 125146554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).