(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide

C16H30N2O3 — CID 97100984

IUPAC(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCCOCCC1(CNC(=O)[C@@H]2CN(C)CCO2)CCCC1
InChIInChI=1S/C16H30N2O3/c1-3-20-10-8-16(6-4-5-7-16)13-17-15(19)14-12-18(2)9-11-21-14/h14H,3-13H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyMIKDQKMVDYGVPZ-AWEZNQCLSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds7

About (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide

(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 97100984) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
PubChem CID97100984
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCCOCCC1(CNC(=O)[C@@H]2CN(C)CCO2)CCCC1
InChIInChI=1S/C16H30N2O3/c1-3-20-10-8-16(6-4-5-7-16)13-17-15(19)14-12-18(2)9-11-21-14/h14H,3-13H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyMIKDQKMVDYGVPZ-AWEZNQCLSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
CID 97100985
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966
methyl 2-[(4-methylmorpholine-2-carbonyl)amino]acetate
CID 123485121
(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796417
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
(3S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 100757302
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
CID 111540494
9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992642
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119820394

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide (CID 97100984) is (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide is CCOCCC1(CNC(=O)[C@@H]2CN(C)CCO2)CCCC1.
What is the InChIKey of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is MIKDQKMVDYGVPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-20-10-8-16(6-4-5-7-16)13-17-15(19)14-12-18(2)9-11-21-14/h14H,3-13H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide?
(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97100984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).