(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide

C19H29N3O2 — CID 7928372

IUPAC(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](NC1CCCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15(20-16-5-3-2-4-6-16)19(23)21-17-7-9-18(10-8-17)22-11-13-24-14-12-22/h7-10,15-16,20H,2-6,11-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyMQPXZHZCCKSKBE-HNNXBMFYSA-N
MW331.46 g/mol
LogP2.77
Rot. Bonds5

About (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 7928372) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID7928372
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](NC1CCCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15(20-16-5-3-2-4-6-16)19(23)21-17-7-9-18(10-8-17)22-11-13-24-14-12-22/h7-10,15-16,20H,2-6,11-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyMQPXZHZCCKSKBE-HNNXBMFYSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
(2R)-2-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylacetamide
CID 95989343
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
N-cyclohexyl-2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]acetamide
CID 35269451
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide (CID 7928372) is (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide is C[C@H](NC1CCCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is MQPXZHZCCKSKBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(20-16-5-3-2-4-6-16)19(23)21-17-7-9-18(10-8-17)22-11-13-24-14-12-22/h7-10,15-16,20H,2-6,11-14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7928372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).