N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide

C19H28N2O3 — CID 86984895

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-17-6-8-18(9-7-17)24-12-2-3-19(22)20-13-15-10-11-21(14-15)16-4-5-16/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyKCIBEFUCUIWLNO-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.45
Rot. Bonds9

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide (PubChem CID 86984895) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
PubChem CID86984895
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-17-6-8-18(9-7-17)24-12-2-3-19(22)20-13-15-10-11-21(14-15)16-4-5-16/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyKCIBEFUCUIWLNO-UHFFFAOYSA-N
XLogP2.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide
CID 95303171
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-pentoxyphenyl)methyl]methanamine
CID 78871247
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
3-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 81092770

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide (CID 86984895) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)NCC2CCN(C3CC3)C2)cc1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide?
The InChIKey is KCIBEFUCUIWLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-6-8-18(9-7-17)24-12-2-3-19(22)20-13-15-10-11-21(14-15)16-4-5-16/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 86984895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).