N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide

C17H26N2O4 — CID 46451811

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CCOCC(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-4-18-17(21)12-23-15-7-5-14(6-8-15)19-16(20)9-10-22-11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOVEXGBSLDVNZSE-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.20
Rot. Bonds10

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide (PubChem CID 46451811) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide
PubChem CID46451811
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CCOCC(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-4-18-17(21)12-23-15-7-5-14(6-8-15)19-16(20)9-10-22-11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOVEXGBSLDVNZSE-UHFFFAOYSA-N
XLogP2.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.20
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

N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
CID 139895476
methyl 4-[3-(2-methylpropoxy)propanoylamino]benzoate
CID 38953143
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
CID 139895595
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide (CID 46451811) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide is CCNC(=O)COc1ccc(NC(=O)CCOCC(C)C)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is OVEXGBSLDVNZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-18-17(21)12-23-15-7-5-14(6-8-15)19-16(20)9-10-22-11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 46451811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).