2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide

C18H29N3O2 — CID 112981413

IUPAC2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-3-15(4-2)18(22)20-17-7-5-16(6-8-17)19-9-10-21-11-13-23-14-12-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyLDVCMJFXIPHFJH-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.81
Rot. Bonds8

About 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide

2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide (PubChem CID 112981413) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide
PubChem CID112981413
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-3-15(4-2)18(22)20-17-7-5-16(6-8-17)19-9-10-21-11-13-23-14-12-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyLDVCMJFXIPHFJH-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
CID 130323279
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904
1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109185781
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751352
5-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229683
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 24619756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide (CID 112981413) is 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(NCCN2CCOCC2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide?
The InChIKey is LDVCMJFXIPHFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-15(4-2)18(22)20-17-7-5-16(6-8-17)19-9-10-21-11-13-23-14-12-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,20,22).
What are the key properties of 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide?
2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide has a molecular weight of 319.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide is sourced from PubChem (CID 112981413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).