N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide

C18H26N2O2 — CID 72892631

IUPACN-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide
SMILESO=C(CCO)N[C@H]1CN(CC2CCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-10-9-18(22)19-17-13-20(11-14-5-4-6-14)12-16(17)15-7-2-1-3-8-15/h1-3,7-8,14,16-17,21H,4-6,9-13H2,(H,19,22)/t16-,17+/m1/s1
InChIKeyRBNFUIVIHHHFAU-SJORKVTESA-N
MW302.42 g/mol
LogP1.75
Rot. Bonds6

About N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide

N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide (PubChem CID 72892631) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide
PubChem CID72892631
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide
SMILESO=C(CCO)N[C@H]1CN(CC2CCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c21-10-9-18(22)19-17-13-20(11-14-5-4-6-14)12-16(17)15-7-2-1-3-8-15/h1-3,7-8,14,16-17,21H,4-6,9-13H2,(H,19,22)/t16-,17+/m1/s1
InChIKeyRBNFUIVIHHHFAU-SJORKVTESA-N
XLogP1.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide?
The IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide (CID 72892631) is N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide is O=C(CCO)N[C@H]1CN(CC2CCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide?
The InChIKey is RBNFUIVIHHHFAU-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N2O2/c21-10-9-18(22)19-17-13-20(11-14-5-4-6-14)12-16(17)15-7-2-1-3-8-15/h1-3,7-8,14,16-17,21H,4-6,9-13H2,(H,19,22)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide?
N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide has a molecular weight of 302.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]-3-hydroxypropanamide is sourced from PubChem (CID 72892631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).