N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide

C15H24N2O2 — CID 55091452

IUPACN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-10-9-14(18)17-13-7-5-12(6-8-13)15(2,3)11-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeyYDRQRIXVQQDOGC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.29
Rot. Bonds7

About N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide (PubChem CID 55091452) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide
PubChem CID55091452
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-10-9-14(18)17-13-7-5-12(6-8-13)15(2,3)11-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeyYDRQRIXVQQDOGC-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073
N-(6-amino-3-pyridinyl)-3-ethoxypropanamide;hydrochloride
CID 119515208
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
4-ethoxy-N-phenylbutanamide
CID 112728021
2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554890
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
CID 115661464

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide?
The IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide (CID 55091452) is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide?
The canonical SMILES for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide is CCOCCC(=O)Nc1ccc(C(C)(C)CN)cc1.
What is the InChIKey of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide?
The InChIKey is YDRQRIXVQQDOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-10-9-14(18)17-13-7-5-12(6-8-13)15(2,3)11-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide?
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-ethoxypropanamide is sourced from PubChem (CID 55091452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).