4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine

C28H43N3O4 — CID 143248741

IUPAC4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine
SMILESCNCc1ccccc1.COCCCOc1cc(C(=O)N(CC2CCNC2)C(C)C)ccc1OC
InChIInChI=1S/C20H32N2O4.C8H11N/c1-15(2)22(14-16-8-9-21-13-16)20(23)17-6-7-18(25-4)19(12-17)26-11-5-10-24-3;1-9-7-8-5-3-2-4-6-8/h6-7,12,15-16,21H,5,8-11,13-14H2,1-4H3;2-6,9H,7H2,1H3
InChIKeyNCKFVPGYBHXYQT-UHFFFAOYSA-N
MW485.67 g/mol
LogP3.98
Rot. Bonds12

About 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine

4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine (PubChem CID 143248741) has the molecular formula C28H43N3O4 and a molecular weight of 485.67 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine
PubChem CID143248741
Molecular FormulaC28H43N3O4
Molecular Weight485.67 g/mol
Exact Mass485.33
IUPAC Name4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine
SMILESCNCc1ccccc1.COCCCOc1cc(C(=O)N(CC2CCNC2)C(C)C)ccc1OC
InChIInChI=1S/C20H32N2O4.C8H11N/c1-15(2)22(14-16-8-9-21-13-16)20(23)17-6-7-18(25-4)19(12-17)26-11-5-10-24-3;1-9-7-8-5-3-2-4-6-8/h6-7,12,15-16,21H,5,8-11,13-14H2,1-4H3;2-6,9H,7H2,1H3
InChIKeyNCKFVPGYBHXYQT-UHFFFAOYSA-N
XLogP3.98
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.67
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 143294968
[(3S,4R)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidin-3-yl]methyl N-benzylcarbamate
CID 91330594
N-[[(3S,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 91539499
[(3S,4R)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidin-3-yl] N-benzylcarbamate
CID 90713107
4-methoxy-3-(3-methoxypropoxy)-N-[[(3S,4R)-4-[[(2-phenylacetyl)-propan-2-ylamino]methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 90933749
N-[[(3S,4S)-4-[[2-(benzylamino)-2-oxoethyl]amino]pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59272190
4-methoxy-3-(3-methoxypropoxy)-N-[[(3S)-4-phenylmethoxypyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 59272015
N-[[(3S,4S)-4-[benzylsulfonyl(methyl)amino]pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59272020
N-[[(3S,4S)-4-(benzylsulfonylmethyl)pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59512250
4-methoxy-3-(3-methoxypropoxy)-N-[[(3S,4R)-4-[[2-methylpropyl-(2-phenylacetyl)amino]methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 91137315
4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
CID 70910455
N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 11851632

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine?
The IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine (CID 143248741) is 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine.
What is the SMILES notation for 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine?
The canonical SMILES for 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine is CNCc1ccccc1.COCCCOc1cc(C(=O)N(CC2CCNC2)C(C)C)ccc1OC.
What is the InChIKey of 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine?
The InChIKey is NCKFVPGYBHXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4.C8H11N/c1-15(2)22(14-16-8-9-21-13-16)20(23)17-6-7-18(25-4)19(12-17)26-11-5-10-24-3;1-9-7-8-5-3-2-4-6-8/h6-7,12,15-16,21H,5,8-11,13-14H2,1-4H3;2-6,9H,7H2,1H3.
What are the key properties of 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine?
4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine has a molecular weight of 485.67 g/mol, XLogP of 3.98, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 143248741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).