ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline

C25H38N4O2 — CID 143051819

IUPACethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline
SMILESCC.CN(C(=O)CNC=O)C(CN1CCCC1)c1ccccc1.CNc1ccccc1
InChIInChI=1S/C16H23N3O2.C7H9N.C2H6/c1-18(16(21)11-17-13-20)15(12-19-9-5-6-10-19)14-7-3-2-4-8-14;1-8-7-5-3-2-4-6-7;1-2/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,20);2-6,8H,1H3;1-2H3
InChIKeyRGYWIIULOZGVQN-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.78
Rot. Bonds8

About ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline

ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline (PubChem CID 143051819) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline.

Molecular Properties

Compound Nameethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline
PubChem CID143051819
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Nameethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline
SMILESCC.CN(C(=O)CNC=O)C(CN1CCCC1)c1ccccc1.CNc1ccccc1
InChIInChI=1S/C16H23N3O2.C7H9N.C2H6/c1-18(16(21)11-17-13-20)15(12-19-9-5-6-10-19)14-7-3-2-4-8-14;1-8-7-5-3-2-4-6-7;1-2/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,20);2-6,8H,1H3;1-2H3
InChIKeyRGYWIIULOZGVQN-UHFFFAOYSA-N
XLogP3.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
CID 22253496
2,2,2-trifluoro-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 11779548
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 138739466
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
N-methyl-1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide;hydrochloride
CID 77179130
2-anthracen-9-yl-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 10161599
2-[2-(methanesulfonamido)phenyl]-N-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;methanesulfonic acid
CID 10229395

Frequently Asked Questions

What is the IUPAC name of ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline?
The IUPAC name of ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline (CID 143051819) is ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline.
What is the SMILES notation for ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline?
The canonical SMILES for ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline is CC.CN(C(=O)CNC=O)C(CN1CCCC1)c1ccccc1.CNc1ccccc1.
What is the InChIKey of ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline?
The InChIKey is RGYWIIULOZGVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.C7H9N.C2H6/c1-18(16(21)11-17-13-20)15(12-19-9-5-6-10-19)14-7-3-2-4-8-14;1-8-7-5-3-2-4-6-7;1-2/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,20);2-6,8H,1H3;1-2H3.
What are the key properties of ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline?
ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline has a molecular weight of 426.61 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-formamido-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;N-methylaniline is sourced from PubChem (CID 143051819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).