N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide

C16H33N5O2 — CID 111009779

IUPACN,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
SMILESCCN/C(=N\CC1CN(C)CCO1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C16H33N5O2/c1-6-17-16(18-11-14-12-19(4)9-10-23-14)20(5)13-15(22)21(7-2)8-3/h14H,6-13H2,1-5H3,(H,17,18)
InChIKeyBKTHGSZRYCGUGQ-UHFFFAOYSA-N
MW327.47 g/mol
LogP0.08
Rot. Bonds7

About N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide

N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide (PubChem CID 111009779) has the molecular formula C16H33N5O2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
PubChem CID111009779
Molecular FormulaC16H33N5O2
Molecular Weight327.47 g/mol
Exact Mass327.26
IUPAC NameN,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
SMILESCCN/C(=N\CC1CN(C)CCO1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C16H33N5O2/c1-6-17-16(18-11-14-12-19(4)9-10-23-14)20(5)13-15(22)21(7-2)8-3/h14H,6-13H2,1-5H3,(H,17,18)
InChIKeyBKTHGSZRYCGUGQ-UHFFFAOYSA-N
XLogP0.08
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide (CID 111009779) is N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide is CCN/C(=N\CC1CN(C)CCO1)N(C)CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide?
The InChIKey is BKTHGSZRYCGUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2/c1-6-17-16(18-11-14-12-19(4)9-10-23-14)20(5)13-15(22)21(7-2)8-3/h14H,6-13H2,1-5H3,(H,17,18).
What are the key properties of N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide?
N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide has a molecular weight of 327.47 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide is sourced from PubChem (CID 111009779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).