N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide

C16H26N2O3 — CID 119585067

IUPACN-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)C(C)CN
InChIInChI=1S/C16H26N2O3/c1-4-20-14-8-5-6-9-15(14)21-11-7-10-16(19)18(3)13(2)12-17/h5-6,8-9,13H,4,7,10-12,17H2,1-3H3
InChIKeyJBPGJFQNFCTJEF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.05
Rot. Bonds9

About N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide

N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide (PubChem CID 119585067) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
PubChem CID119585067
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)C(C)CN
InChIInChI=1S/C16H26N2O3/c1-4-20-14-8-5-6-9-15(14)21-11-7-10-16(19)18(3)13(2)12-17/h5-6,8-9,13H,4,7,10-12,17H2,1-3H3
InChIKeyJBPGJFQNFCTJEF-UHFFFAOYSA-N
XLogP2.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584124
N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119581560
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
CID 55377741

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide (CID 119585067) is N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide is CCOc1ccccc1OCCCC(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide?
The InChIKey is JBPGJFQNFCTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-20-14-8-5-6-9-15(14)21-11-7-10-16(19)18(3)13(2)12-17/h5-6,8-9,13H,4,7,10-12,17H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide?
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 119585067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).