N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid

C24H29NO5 — CID 2892779

IUPACN,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid
SMILESCCN(CC)CC#CCC(c1ccccc1)c1ccc(OC)cc1.O=C(O)C(=O)O
InChIInChI=1S/C22H27NO.C2H2O4/c1-4-23(5-2)18-10-9-13-22(19-11-7-6-8-12-19)20-14-16-21(24-3)17-15-20;3-1(4)2(5)6/h6-8,11-12,14-17,22H,4-5,13,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKOVDUJSQZWKFFO-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.72
Rot. Bonds7

About N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid

N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid (PubChem CID 2892779) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid
PubChem CID2892779
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC NameN,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid
SMILESCCN(CC)CC#CCC(c1ccccc1)c1ccc(OC)cc1.O=C(O)C(=O)O
InChIInChI=1S/C22H27NO.C2H2O4/c1-4-23(5-2)18-10-9-13-22(19-11-7-6-8-12-19)20-14-16-21(24-3)17-15-20;3-1(4)2(5)6/h6-8,11-12,14-17,22H,4-5,13,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKOVDUJSQZWKFFO-UHFFFAOYSA-N
XLogP3.72
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(diethylamino)propan-2-yl 2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride
CID 138399990
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548
ethyl 4-cyano-4-(4-methoxyphenyl)-3-phenylbutanoate
CID 12835005
ethyl N-[2-[ethyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8557018
anisole;butan-2-one
CID 67379528
2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
CID 24834681
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid?
The IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid (CID 2892779) is N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid.
What is the SMILES notation for N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid?
The canonical SMILES for N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid is CCN(CC)CC#CCC(c1ccccc1)c1ccc(OC)cc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid?
The InChIKey is KOVDUJSQZWKFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.C2H2O4/c1-4-23(5-2)18-10-9-13-22(19-11-7-6-8-12-19)20-14-16-21(24-3)17-15-20;3-1(4)2(5)6/h6-8,11-12,14-17,22H,4-5,13,18H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid?
N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid has a molecular weight of 411.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid is sourced from PubChem (CID 2892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).