4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride

C17H23Cl2N3O3 — CID 120934462

IUPAC4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)CCOCC1
InChIInChI=1S/C17H22ClN3O3.ClH/c18-12-1-3-13(4-2-12)21-8-5-14(15(21)22)20-16(23)17(11-19)6-9-24-10-7-17;/h1-4,14H,5-11,19H2,(H,20,23);1H
InChIKeyZZJPCVLEGOAOSA-UHFFFAOYSA-N
MW388.30 g/mol
LogP1.74
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120934462) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120934462
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Name4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)CCOCC1
InChIInChI=1S/C17H22ClN3O3.ClH/c18-12-1-3-13(4-2-12)21-8-5-14(15(21)22)20-16(23)17(11-19)6-9-24-10-7-17;/h1-4,14H,5-11,19H2,(H,20,23);1H
InChIKeyZZJPCVLEGOAOSA-UHFFFAOYSA-N
XLogP1.74
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxane-4-carboxamide
CID 120935390
methyl 2-[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate;hydrochloride
CID 120937014
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
2-amino-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119332076
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119798480
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119798473
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120920314
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119798476

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride (CID 120934462) is 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is ZZJPCVLEGOAOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3.ClH/c18-12-1-3-13(4-2-12)21-8-5-14(15(21)22)20-16(23)17(11-19)6-9-24-10-7-17;/h1-4,14H,5-11,19H2,(H,20,23);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 388.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).