(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide

C15H24N2O2 — CID 93037212

IUPAC(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
SMILESCCCCCOc1ccc(CN[C@H](C)C(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-10-19-14-8-6-13(7-9-14)11-17-12(2)15(16)18/h6-9,12,17H,3-5,10-11H2,1-2H3,(H2,16,18)/t12-/m1/s1
InChIKeyYRJAODKIDJQUDH-GFCCVEGCSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds9

About (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide

(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide (PubChem CID 93037212) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
PubChem CID93037212
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
SMILESCCCCCOc1ccc(CN[C@H](C)C(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-5-10-19-14-8-6-13(7-9-14)11-17-12(2)15(16)18/h6-9,12,17H,3-5,10-11H2,1-2H3,(H2,16,18)/t12-/m1/s1
InChIKeyYRJAODKIDJQUDH-GFCCVEGCSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
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

methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
CID 106171142
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
(2S)-2-[(4-decoxyphenyl)methylamino]-N-[5-[[(2S)-2-[(4-decoxyphenyl)methylamino]-3-methylbutanoyl]amino]pentyl]-3-methylbutanamide
CID 122226234
N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209
N-[(4-butoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827685
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115672820

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide?
The IUPAC name of (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide (CID 93037212) is (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide.
What is the SMILES notation for (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide?
The canonical SMILES for (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide is CCCCCOc1ccc(CN[C@H](C)C(N)=O)cc1.
What is the InChIKey of (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide?
The InChIKey is YRJAODKIDJQUDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-10-19-14-8-6-13(7-9-14)11-17-12(2)15(16)18/h6-9,12,17H,3-5,10-11H2,1-2H3,(H2,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide?
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-pentoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 93037212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).