N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide

C17H26N2O3 — CID 119572344

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(12-18,13-5-6-13)19-16(20)4-3-11-22-15-9-7-14(21-2)8-10-15/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyIPYWVSMTLDSRSJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds9

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 119572344) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
PubChem CID119572344
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(12-18,13-5-6-13)19-16(20)4-3-11-22-15-9-7-14(21-2)8-10-15/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20)
InChIKeyIPYWVSMTLDSRSJ-UHFFFAOYSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 119572330
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,3-dichlorophenoxy)butanamide;hydrochloride
CID 119574926
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-fluorophenoxy)acetamide;hydrochloride
CID 119572196
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 119572773
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 119573205
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119574900

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide (CID 119572344) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)NC(C)(CN)C2CC2)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is IPYWVSMTLDSRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(12-18,13-5-6-13)19-16(20)4-3-11-22-15-9-7-14(21-2)8-10-15/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 306.41 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 119572344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).