2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide

C18H24N6O3 — CID 46908243

IUPAC2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide
SMILESC[C@H](N)c1ncc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)[nH]1
InChIInChI=1S/C18H24N6O3/c1-12(19)17-20-10-15(23-17)18(26)21-11-16(25)22-13-2-4-14(5-3-13)24-6-8-27-9-7-24/h2-5,10,12H,6-9,11,19H2,1H3,(H,20,23)(H,21,26)(H,22,25)/t12-/m0/s1
InChIKeyUDHCBCNTDKCCSJ-LBPRGKRZSA-N
MW372.43 g/mol
LogP0.63
Rot. Bonds6

About 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide

2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide (PubChem CID 46908243) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide
PubChem CID46908243
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide
SMILESC[C@H](N)c1ncc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)[nH]1
InChIInChI=1S/C18H24N6O3/c1-12(19)17-20-10-15(23-17)18(26)21-11-16(25)22-13-2-4-14(5-3-13)24-6-8-27-9-7-24/h2-5,10,12H,6-9,11,19H2,1H3,(H,20,23)(H,21,26)(H,22,25)/t12-/m0/s1
InChIKeyUDHCBCNTDKCCSJ-LBPRGKRZSA-N
XLogP0.63
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 61253868
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092010
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide (CID 46908243) is 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide is C[C@H](N)c1ncc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)[nH]1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The InChIKey is UDHCBCNTDKCCSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-12(19)17-20-10-15(23-17)18(26)21-11-16(25)22-13-2-4-14(5-3-13)24-6-8-27-9-7-24/h2-5,10,12H,6-9,11,19H2,1H3,(H,20,23)(H,21,26)(H,22,25)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 46908243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).