N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide

C21H26N2O3 — CID 125171289

IUPACN-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cccc(C(=O)NC[C@H](O)CN3CCCC3)c2)c1
InChIInChI=1S/C21H26N2O3/c1-26-20-9-5-7-17(13-20)16-6-4-8-18(12-16)21(25)22-14-19(24)15-23-10-2-3-11-23/h4-9,12-13,19,24H,2-3,10-11,14-15H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyLVYQAWSQRNHZQU-IBGZPJMESA-N
MW354.45 g/mol
LogP2.55
Rot. Bonds7

About N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide

N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide (PubChem CID 125171289) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
PubChem CID125171289
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cccc(C(=O)NC[C@H](O)CN3CCCC3)c2)c1
InChIInChI=1S/C21H26N2O3/c1-26-20-9-5-7-17(13-20)16-6-4-8-18(12-16)21(25)22-14-19(24)15-23-10-2-3-11-23/h4-9,12-13,19,24H,2-3,10-11,14-15H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyLVYQAWSQRNHZQU-IBGZPJMESA-N
XLogP2.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658006
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide
CID 110403480
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide
CID 111112837
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111112812
2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide
CID 124853730
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
4-(2-acetylphenyl)-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]benzamide
CID 126449800
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide (CID 125171289) is N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cccc(C(=O)NC[C@H](O)CN3CCCC3)c2)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide?
The InChIKey is LVYQAWSQRNHZQU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O3/c1-26-20-9-5-7-17(13-20)16-6-4-8-18(12-16)21(25)22-14-19(24)15-23-10-2-3-11-23/h4-9,12-13,19,24H,2-3,10-11,14-15H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide?
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 125171289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).