N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide

C14H20N2O3 — CID 55218945

IUPACN-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
SMILESNCc1ccc(NC(=O)CCOC2CCOC2)cc1
InChIInChI=1S/C14H20N2O3/c15-9-11-1-3-12(4-2-11)16-14(17)6-8-19-13-5-7-18-10-13/h1-4,13H,5-10,15H2,(H,16,17)
InChIKeyLEVYVRIRRUUBSU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide

N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide (PubChem CID 55218945) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
PubChem CID55218945
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
SMILESNCc1ccc(NC(=O)CCOC2CCOC2)cc1
InChIInChI=1S/C14H20N2O3/c15-9-11-1-3-12(4-2-11)16-14(17)6-8-19-13-5-7-18-10-13/h1-4,13H,5-10,15H2,(H,16,17)
InChIKeyLEVYVRIRRUUBSU-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide
CID 63556653
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(4-carbamothioylphenyl)-3-(oxan-4-yloxy)propanamide
CID 61287787
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
CID 106200311
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
CID 102605608
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide (CID 55218945) is N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide is NCc1ccc(NC(=O)CCOC2CCOC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide?
The InChIKey is LEVYVRIRRUUBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-9-11-1-3-12(4-2-11)16-14(17)6-8-19-13-5-7-18-10-13/h1-4,13H,5-10,15H2,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide?
N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide is sourced from PubChem (CID 55218945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).