N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide

C21H26N2O — CID 95303171

IUPACN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2c1)NC[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C21H26N2O/c24-21(22-14-17-11-12-23(15-17)20-8-9-20)10-6-16-5-7-18-3-1-2-4-19(18)13-16/h1-5,7,13,17,20H,6,8-12,14-15H2,(H,22,24)/t17-/m1/s1
InChIKeyMBVSRABGJKEGDN-QGZVFWFLSA-N
MW322.45 g/mol
LogP3.37
Rot. Bonds6

About N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide

N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide (PubChem CID 95303171) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide
PubChem CID95303171
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2c1)NC[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C21H26N2O/c24-21(22-14-17-11-12-23(15-17)20-8-9-20)10-6-16-5-7-18-3-1-2-4-19(18)13-16/h1-5,7,13,17,20H,6,8-12,14-15H2,(H,22,24)/t17-/m1/s1
InChIKeyMBVSRABGJKEGDN-QGZVFWFLSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-hydroxyphenyl)propanamide
CID 118774346
3-(5-chlorothiophen-2-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propanamide
CID 60559749
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 16895598
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579103

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide (CID 95303171) is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide is O=C(CCc1ccc2ccccc2c1)NC[C@H]1CCN(C2CC2)C1.
What is the InChIKey of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide?
The InChIKey is MBVSRABGJKEGDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(22-14-17-11-12-23(15-17)20-8-9-20)10-6-16-5-7-18-3-1-2-4-19(18)13-16/h1-5,7,13,17,20H,6,8-12,14-15H2,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide?
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 95303171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).