N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide

C15H25N3O2 — CID 79385176

IUPACN-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(N)c1)CC(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-15(2,20)11-18(3)9-5-8-14(19)17-13-7-4-6-12(16)10-13/h4,6-7,10,20H,5,8-9,11,16H2,1-3H3,(H,17,19)
InChIKeyJHTIHMLDRRYFST-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds7

About N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide

N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide (PubChem CID 79385176) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
PubChem CID79385176
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(N)c1)CC(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-15(2,20)11-18(3)9-5-8-14(19)17-13-7-4-6-12(16)10-13/h4,6-7,10,20H,5,8-9,11,16H2,1-3H3,(H,17,19)
InChIKeyJHTIHMLDRRYFST-UHFFFAOYSA-N
XLogP1.69
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
N-(3-aminophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384491
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642
N-(3-aminophenyl)-3-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102631553

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
The IUPAC name of N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide (CID 79385176) is N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide is CN(CCCC(=O)Nc1cccc(N)c1)CC(C)(C)O.
What is the InChIKey of N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
The InChIKey is JHTIHMLDRRYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,20)11-18(3)9-5-8-14(19)17-13-7-4-6-12(16)10-13/h4,6-7,10,20H,5,8-9,11,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide?
N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide is sourced from PubChem (CID 79385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).