3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium

C16H26N3O3+ — CID 7998281

IUPAC3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]CCCO)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O3/c1-13(17-7-2-10-20)16(21)18-14-3-5-15(6-4-14)19-8-11-22-12-9-19/h3-6,13,17,20H,2,7-12H2,1H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyBMTZGPUORSMHCC-ZDUSSCGKSA-O
MW308.40 g/mol
LogP-0.20
Rot. Bonds7

About 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium

3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium (PubChem CID 7998281) has the molecular formula C16H26N3O3+ and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium
PubChem CID7998281
Molecular FormulaC16H26N3O3+
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+]CCCO)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O3/c1-13(17-7-2-10-20)16(21)18-14-3-5-15(6-4-14)19-8-11-22-12-9-19/h3-6,13,17,20H,2,7-12H2,1H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyBMTZGPUORSMHCC-ZDUSSCGKSA-O
XLogP-0.20
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 49154044
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 41408806

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium (CID 7998281) is 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium is C[C@H]([NH2+]CCCO)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is BMTZGPUORSMHCC-ZDUSSCGKSA-O. The full InChI is InChI=1S/C16H25N3O3/c1-13(17-7-2-10-20)16(21)18-14-3-5-15(6-4-14)19-8-11-22-12-9-19/h3-6,13,17,20H,2,7-12H2,1H3,(H,18,21)/p+1/t13-/m0/s1.
What are the key properties of 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium?
3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 308.40 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7998281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).