N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide

C17H24N2O2 — CID 95616964

IUPACN-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-12-14-4-6-15(7-5-14)17(20)18-16-8-9-19(11-16)10-13-2-3-13/h4-7,13,16H,2-3,8-12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyHVIBDSFWADPFBM-MRXNPFEDSA-N
MW288.39 g/mol
LogP2.05
Rot. Bonds6

About N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide

N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide (PubChem CID 95616964) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
PubChem CID95616964
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-21-12-14-4-6-15(7-5-14)17(20)18-16-8-9-19(11-16)10-13-2-3-13/h4-7,13,16H,2-3,8-12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyHVIBDSFWADPFBM-MRXNPFEDSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 97062806
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 75388697
N-[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]-3-[[4-(methoxymethyl)benzoyl]amino]piperidine-1-carboxamide
CID 130400601
N-[(3R,4R)-1-(cyclopropylmethyl)-4-hydroxyazepan-3-yl]-4-[(4-fluorophenyl)methoxy]benzamide
CID 26742059
4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide
CID 70020547
4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide
CID 56548469
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 26407655

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide (CID 95616964) is N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1.
What is the InChIKey of N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide?
The InChIKey is HVIBDSFWADPFBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-12-14-4-6-15(7-5-14)17(20)18-16-8-9-19(11-16)10-13-2-3-13/h4-7,13,16H,2-3,8-12H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide?
N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 95616964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).