N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide

C13H28N2O3 — CID 113260438

IUPACN-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
SMILESCOCCNC(=O)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C13H28N2O3/c1-11(10-13(2,3)18-5)14-7-6-12(16)15-8-9-17-4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyPCUNENKHJURIPA-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.93
Rot. Bonds10

About N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide

N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide (PubChem CID 113260438) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
PubChem CID113260438
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
SMILESCOCCNC(=O)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C13H28N2O3/c1-11(10-13(2,3)18-5)14-7-6-12(16)15-8-9-17-4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyPCUNENKHJURIPA-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
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2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036
3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
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N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115711920
3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
CID 103910437
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
3-(1-cyclopentylethylamino)-N-(2-methoxyethyl)propanamide
CID 112700250
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
CID 113410009

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide (CID 113260438) is N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide is COCCNC(=O)CCNC(C)CC(C)(C)OC.
What is the InChIKey of N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide?
The InChIKey is PCUNENKHJURIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-11(10-13(2,3)18-5)14-7-6-12(16)15-8-9-17-4/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide?
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide has a molecular weight of 260.38 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide is sourced from PubChem (CID 113260438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).