N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide

C16H25N3O2 — CID 30057783

IUPACN-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide
SMILESC[C@@H]1CN(CCCC(=O)Nc2ccc(N)cc2)C[C@H](C)O1
InChIInChI=1S/C16H25N3O2/c1-12-10-19(11-13(2)21-12)9-3-4-16(20)18-15-7-5-14(17)6-8-15/h5-8,12-13H,3-4,9-11,17H2,1-2H3,(H,18,20)/t12-,13+
InChIKeyHUUPOEPUOLCQJV-BETUJISGSA-N
MW291.39 g/mol
LogP2.10
Rot. Bonds5

About N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide

N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide (PubChem CID 30057783) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide
PubChem CID30057783
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide
SMILESC[C@@H]1CN(CCCC(=O)Nc2ccc(N)cc2)C[C@H](C)O1
InChIInChI=1S/C16H25N3O2/c1-12-10-19(11-13(2)21-12)9-3-4-16(20)18-15-7-5-14(17)6-8-15/h5-8,12-13H,3-4,9-11,17H2,1-2H3,(H,18,20)/t12-,13+
InChIKeyHUUPOEPUOLCQJV-BETUJISGSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
N-(4-acetylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 24588538
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(4-aminophenyl)-4-(3,5-dioxomorpholin-4-yl)butanamide
CID 61312691
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide
CID 112770384
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide?
The IUPAC name of N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide (CID 30057783) is N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide is C[C@@H]1CN(CCCC(=O)Nc2ccc(N)cc2)C[C@H](C)O1.
What is the InChIKey of N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide?
The InChIKey is HUUPOEPUOLCQJV-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-19(11-13(2)21-12)9-3-4-16(20)18-15-7-5-14(17)6-8-15/h5-8,12-13H,3-4,9-11,17H2,1-2H3,(H,18,20)/t12-,13+.
What are the key properties of N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide?
N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide is sourced from PubChem (CID 30057783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).