3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide

C20H24N2O3 — CID 119949559

IUPAC3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(OCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c21-19(15-5-2-1-3-6-15)13-20(23)22-16-8-10-17(11-9-16)25-14-18-7-4-12-24-18/h1-3,5-6,8-11,18-19H,4,7,12-14,21H2,(H,22,23)
InChIKeyKDIVHJQCOUBCLZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.27
Rot. Bonds7

About 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide

3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide (PubChem CID 119949559) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
PubChem CID119949559
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1ccc(OCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c21-19(15-5-2-1-3-6-15)13-20(23)22-16-8-10-17(11-9-16)25-14-18-7-4-12-24-18/h1-3,5-6,8-11,18-19H,4,7,12-14,21H2,(H,22,23)
InChIKeyKDIVHJQCOUBCLZ-UHFFFAOYSA-N
XLogP3.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
4-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 120588275
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54845998
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide (CID 119949559) is 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide is NC(CC(=O)Nc1ccc(OCC2CCCO2)cc1)c1ccccc1.
What is the InChIKey of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide?
The InChIKey is KDIVHJQCOUBCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c21-19(15-5-2-1-3-6-15)13-20(23)22-16-8-10-17(11-9-16)25-14-18-7-4-12-24-18/h1-3,5-6,8-11,18-19H,4,7,12-14,21H2,(H,22,23).
What are the key properties of 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide?
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).