3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide

C18H28N4O3 — CID 55482537

IUPAC3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC(N)=O
InChIInChI=1S/C18H28N4O3/c1-14(2)22(13-17(19)23)8-7-18(24)20-15-3-5-16(6-4-15)21-9-11-25-12-10-21/h3-6,14H,7-13H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyDASZRRJFGGQYEV-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.05
Rot. Bonds8

About 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide

3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 55482537) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID55482537
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC(N)=O
InChIInChI=1S/C18H28N4O3/c1-14(2)22(13-17(19)23)8-7-18(24)20-15-3-5-16(6-4-15)21-9-11-25-12-10-21/h3-6,14H,7-13H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyDASZRRJFGGQYEV-UHFFFAOYSA-N
XLogP1.05
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.05
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

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 55362471
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[[(1S)-1-cyanoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592711

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 55482537) is 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide is CC(C)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC(N)=O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is DASZRRJFGGQYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14(2)22(13-17(19)23)8-7-18(24)20-15-3-5-16(6-4-15)21-9-11-25-12-10-21/h3-6,14H,7-13H2,1-2H3,(H2,19,23)(H,20,24).
What are the key properties of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 55482537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).