2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide

C18H27N3O3 — CID 33164009

IUPAC2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)17(23)19-9-8-16(22)20-14-4-6-15(7-5-14)21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyPPPMHOLAHLJDGI-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.01
Rot. Bonds5

About 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide

2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide (PubChem CID 33164009) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
PubChem CID33164009
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)17(23)19-9-8-16(22)20-14-4-6-15(7-5-14)21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyPPPMHOLAHLJDGI-UHFFFAOYSA-N
XLogP2.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
CID 35014792
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide (CID 33164009) is 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide is CC(C)(C)C(=O)NCCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide?
The InChIKey is PPPMHOLAHLJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)17(23)19-9-8-16(22)20-14-4-6-15(7-5-14)21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide?
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide is sourced from PubChem (CID 33164009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).