N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide

C14H23N5O3 — CID 154999028

IUPACN-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)NC(=O)[C@H](Cn1ccnc1)NC(=O)N1CCOCC1
InChIInChI=1S/C14H23N5O3/c1-11(2)16-13(20)12(9-18-4-3-15-10-18)17-14(21)19-5-7-22-8-6-19/h3-4,10-12H,5-9H2,1-2H3,(H,16,20)(H,17,21)/t12-/m0/s1
InChIKeyLDUASNADUCHHKN-LBPRGKRZSA-N
MW309.37 g/mol
LogP-0.18
Rot. Bonds5

About N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide

N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide (PubChem CID 154999028) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide
PubChem CID154999028
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)NC(=O)[C@H](Cn1ccnc1)NC(=O)N1CCOCC1
InChIInChI=1S/C14H23N5O3/c1-11(2)16-13(20)12(9-18-4-3-15-10-18)17-14(21)19-5-7-22-8-6-19/h3-4,10-12H,5-9H2,1-2H3,(H,16,20)(H,17,21)/t12-/m0/s1
InChIKeyLDUASNADUCHHKN-LBPRGKRZSA-N
XLogP-0.18
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide (CID 154999028) is N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide is CC(C)NC(=O)[C@H](Cn1ccnc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is LDUASNADUCHHKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-11(2)16-13(20)12(9-18-4-3-15-10-18)17-14(21)19-5-7-22-8-6-19/h3-4,10-12H,5-9H2,1-2H3,(H,16,20)(H,17,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide?
N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-imidazol-1-yl-1-oxo-1-(propan-2-ylamino)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 154999028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).