5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide

C15H23N3O2 — CID 827298

IUPAC5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H23N3O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10,16H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFKLZXOIYBRAZIN-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds5

About 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide

5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 827298) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
PubChem CID827298
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H23N3O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10,16H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFKLZXOIYBRAZIN-LBPRGKRZSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydron;chloride
CID 45108246
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 42589509
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[ethylsulfonyl(methyl)amino]-2-methoxybenzamide
CID 12848777
4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydrochloride
CID 77108201
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 92973518
2-methoxy-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 15664993
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
CID 14528112
N-[[(2S)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 70606438
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide (CID 827298) is 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is FKLZXOIYBRAZIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10,16H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide?
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 827298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).