N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride

C16H24ClN3O3 — CID 120944089

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
SMILESCl.O=C(CCNC(=O)Cc1ccccc1)NCC1CNCC1O
InChIInChI=1S/C16H23N3O3.ClH/c20-14-11-17-9-13(14)10-19-15(21)6-7-18-16(22)8-12-4-2-1-3-5-12;/h1-5,13-14,17,20H,6-11H2,(H,18,22)(H,19,21);1H
InChIKeyQMEABYVRVFLEOD-UHFFFAOYSA-N
MW341.84 g/mol
LogP-0.15
Rot. Bonds7

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride (PubChem CID 120944089) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
PubChem CID120944089
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
SMILESCl.O=C(CCNC(=O)Cc1ccccc1)NCC1CNCC1O
InChIInChI=1S/C16H23N3O3.ClH/c20-14-11-17-9-13(14)10-19-15(21)6-7-18-16(22)8-12-4-2-1-3-5-12;/h1-5,13-14,17,20H,6-11H2,(H,18,22)(H,19,21);1H
InChIKeyQMEABYVRVFLEOD-UHFFFAOYSA-N
XLogP-0.15
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-(dibenzylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120948938
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120945181
2-(2,6-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120944560
3-(2-chlorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944601
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 120946529
3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948869
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride (CID 120944089) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride is Cl.O=C(CCNC(=O)Cc1ccccc1)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
The InChIKey is QMEABYVRVFLEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c20-14-11-17-9-13(14)10-19-15(21)6-7-18-16(22)8-12-4-2-1-3-5-12;/h1-5,13-14,17,20H,6-11H2,(H,18,22)(H,19,21);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of -0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 120944089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).