N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide

C22H27N3O4 — CID 54830960

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O4/c1-16(2)29-20-9-4-3-8-19(20)23-15-21(26)24-18-7-5-6-17(14-18)22(27)25-10-12-28-13-11-25/h3-9,14,16,23H,10-13,15H2,1-2H3,(H,24,26)
InChIKeyMVIBPFKVNZVDDU-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.00
Rot. Bonds7

About N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide

N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide (PubChem CID 54830960) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide
PubChem CID54830960
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O4/c1-16(2)29-20-9-4-3-8-19(20)23-15-21(26)24-18-7-5-6-17(14-18)22(27)25-10-12-28-13-11-25/h3-9,14,16,23H,10-13,15H2,1-2H3,(H,24,26)
InChIKeyMVIBPFKVNZVDDU-UHFFFAOYSA-N
XLogP3.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646
N-[2-(2-methylpropoxy)phenyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836401
2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54831212
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
2-(2,4-dichloroanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810917
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54826101
2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide (CID 54830960) is N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccccc1NCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide?
The InChIKey is MVIBPFKVNZVDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(2)29-20-9-4-3-8-19(20)23-15-21(26)24-18-7-5-6-17(14-18)22(27)25-10-12-28-13-11-25/h3-9,14,16,23H,10-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide?
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54830960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).