3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide

C20H31N3O2 — CID 95628573

IUPAC3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
SMILESCc1cccc(CCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1
InChIInChI=1S/C20H31N3O2/c1-17-3-2-4-18(15-17)5-6-20(24)21-19-7-8-23(16-19)10-9-22-11-13-25-14-12-22/h2-4,15,19H,5-14,16H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyTXMOXTOMICXOJT-IBGZPJMESA-N
MW345.49 g/mol
LogP1.45
Rot. Bonds7

About 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide

3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide (PubChem CID 95628573) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
PubChem CID95628573
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
SMILESCc1cccc(CCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1
InChIInChI=1S/C20H31N3O2/c1-17-3-2-4-18(15-17)5-6-20(24)21-19-7-8-23(16-19)10-9-22-11-13-25-14-12-22/h2-4,15,19H,5-14,16H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeyTXMOXTOMICXOJT-IBGZPJMESA-N
XLogP1.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 155963075
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55735412
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide (CID 95628573) is 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide is Cc1cccc(CCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is TXMOXTOMICXOJT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N3O2/c1-17-3-2-4-18(15-17)5-6-20(24)21-19-7-8-23(16-19)10-9-22-11-13-25-14-12-22/h2-4,15,19H,5-14,16H2,1H3,(H,21,24)/t19-/m0/s1.
What are the key properties of 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide?
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 95628573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).