N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

C26H32N2O3 — CID 1427599

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
SMILESCCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C26H32N2O3/c1-5-26(29)28(19-20-12-14-21(15-13-20)27(2)3)17-16-23(25-11-8-18-31-25)22-9-6-7-10-24(22)30-4/h6-15,18,23H,5,16-17,19H2,1-4H3/t23-/m0/s1
InChIKeySTFAFNSTEPHHIS-QHCPKHFHSA-N
MW420.55 g/mol
LogP5.32
Rot. Bonds10

About N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide (PubChem CID 1427599) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
PubChem CID1427599
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
SMILESCCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C26H32N2O3/c1-5-26(29)28(19-20-12-14-21(15-13-20)27(2)3)17-16-23(25-11-8-18-31-25)22-9-6-7-10-24(22)30-4/h6-15,18,23H,5,16-17,19H2,1-4H3/t23-/m0/s1
InChIKeySTFAFNSTEPHHIS-QHCPKHFHSA-N
XLogP5.32
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
CID 1426584
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 40877913
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
CID 1306729
N-benzyl-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2938663
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
CID 2920302
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide
CID 1384951
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 42695445
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 729616
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide (CID 1427599) is N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide is CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide?
The InChIKey is STFAFNSTEPHHIS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-5-26(29)28(19-20-12-14-21(15-13-20)27(2)3)17-16-23(25-11-8-18-31-25)22-9-6-7-10-24(22)30-4/h6-15,18,23H,5,16-17,19H2,1-4H3/t23-/m0/s1.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide has a molecular weight of 420.55 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 1427599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).