(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide

C17H31N3O3 — CID 96516498

IUPAC(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1
InChIInChI=1S/C17H31N3O3/c1-3-15-12-20(11-13(2)23-15)17(22)19-9-8-18-16(21)10-14-6-4-5-7-14/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,15-/m0/s1
InChIKeyXHINUBBTYIQSLL-ZFWWWQNUSA-N
MW325.45 g/mol
LogP1.89
Rot. Bonds6

About (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide

(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide (PubChem CID 96516498) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
PubChem CID96516498
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1
InChIInChI=1S/C17H31N3O3/c1-3-15-12-20(11-13(2)23-15)17(22)19-9-8-18-16(21)10-14-6-4-5-7-14/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,15-/m0/s1
InChIKeyXHINUBBTYIQSLL-ZFWWWQNUSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-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

(2R,6S)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]-6-methylmorpholine-4-carboxamide
CID 96516458
2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride
CID 119751420
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
N-(2-cyclopentylethyl)-2-methylmorpholine-4-carboxamide
CID 78892468
(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203475
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144324
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922
N-(2-cyclopentylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 55808732

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide (CID 96516498) is (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide is CC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The InChIKey is XHINUBBTYIQSLL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-3-15-12-20(11-13(2)23-15)17(22)19-9-8-18-16(21)10-14-6-4-5-7-14/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)/t13-,15-/m0/s1.
What are the key properties of (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
(2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 96516498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).