N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide

C17H27N3O2 — CID 120885712

IUPACN-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)N(CCN)CCc2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c1-2-19-12-13-22-16(14-19)17(21)20(11-9-18)10-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14,18H2,1H3
InChIKeyZZXZSIHZQORQQH-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.74
Rot. Bonds7

About N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide

N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide (PubChem CID 120885712) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide
PubChem CID120885712
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)N(CCN)CCc2ccccc2)C1
InChIInChI=1S/C17H27N3O2/c1-2-19-12-13-22-16(14-19)17(21)20(11-9-18)10-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14,18H2,1H3
InChIKeyZZXZSIHZQORQQH-UHFFFAOYSA-N
XLogP0.74
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-ethyl-N-(2-phenylethyl)oxolane-2-carboxamide
CID 120886926
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
N-(2-aminoethyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120886335
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 120884804
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide (CID 120885712) is N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide is CCN1CCOC(C(=O)N(CCN)CCc2ccccc2)C1.
What is the InChIKey of N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide?
The InChIKey is ZZXZSIHZQORQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-19-12-13-22-16(14-19)17(21)20(11-9-18)10-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide?
N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-ethyl-N-(2-phenylethyl)morpholine-2-carboxamide is sourced from PubChem (CID 120885712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).