N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C19H28N2O2 — CID 125171754

IUPACN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CCC1
InChIInChI=1S/C19H28N2O2/c1-23-15-19(9-5-10-19)18(22)20-12-17-8-11-21(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyYUPOXCOIMSBJEV-KRWDZBQOSA-N
MW316.44 g/mol
LogP2.44
Rot. Bonds7

About N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 125171754) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID125171754
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CCC1
InChIInChI=1S/C19H28N2O2/c1-23-15-19(9-5-10-19)18(22)20-12-17-8-11-21(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyYUPOXCOIMSBJEV-KRWDZBQOSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 125171754) is N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CCC1.
What is the InChIKey of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is YUPOXCOIMSBJEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-15-19(9-5-10-19)18(22)20-12-17-8-11-21(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 125171754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).