N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide

C19H24N2O2 — CID 94347343

IUPACN-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)CCCOCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-16(18-10-12-20-13-11-18)21(2)19(22)9-6-14-23-15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3/t16-/m0/s1
InChIKeyDBTSPIVMAQMULN-INIZCTEOSA-N
MW312.41 g/mol
LogP3.60
Rot. Bonds8

About N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide

N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide (PubChem CID 94347343) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
PubChem CID94347343
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)CCCOCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-16(18-10-12-20-13-11-18)21(2)19(22)9-6-14-23-15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3/t16-/m0/s1
InChIKeyDBTSPIVMAQMULN-INIZCTEOSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-phenylmethoxyacetamide
CID 134054246
2-[4-phenylmethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 119198503
N-methoxy-N-methyl-8-phenylmethoxyoctanamide
CID 169498132
5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide
CID 119035965
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide
CID 49377141
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165468105
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
[(2R)-4-iodobutan-2-yl] 4-phenylmethoxybutanoate
CID 10407159
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 60571275

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
The IUPAC name of N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide (CID 94347343) is N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide.
What is the SMILES notation for N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
The canonical SMILES for N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide is C[C@@H](c1ccncc1)N(C)C(=O)CCCOCc1ccccc1.
What is the InChIKey of N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
The InChIKey is DBTSPIVMAQMULN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-16(18-10-12-20-13-11-18)21(2)19(22)9-6-14-23-15-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3/t16-/m0/s1.
What are the key properties of N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide?
N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide has a molecular weight of 312.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide is sourced from PubChem (CID 94347343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).