ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate

C18H27N3O4 — CID 42897624

IUPACethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C18H27N3O4/c1-4-25-18(23)20-16(13(2)3)17(22)19-14-5-7-15(8-6-14)21-9-11-24-12-10-21/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyCHIVCJCHULEPEL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.23
Rot. Bonds6

About ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate

ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate (PubChem CID 42897624) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
PubChem CID42897624
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C18H27N3O4/c1-4-25-18(23)20-16(13(2)3)17(22)19-14-5-7-15(8-6-14)21-9-11-24-12-10-21/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyCHIVCJCHULEPEL-UHFFFAOYSA-N
XLogP2.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[1-[4-(azepan-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55650062
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
CID 110292016
ethyl N-[1-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46431121
2-acetamido-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbutanamide
CID 46807379
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate
CID 55694708
ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55648266
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate (CID 42897624) is ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C.
What is the InChIKey of ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate?
The InChIKey is CHIVCJCHULEPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-25-18(23)20-16(13(2)3)17(22)19-14-5-7-15(8-6-14)21-9-11-24-12-10-21/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate?
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 42897624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).