N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride

C16H25ClN2O2 — CID 154903606

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride
SMILESCC(C)(CC(=O)NCC1(O)CCNC1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-15(2,13-6-4-3-5-7-13)10-14(19)18-12-16(20)8-9-17-11-16;/h3-7,17,20H,8-12H2,1-2H3,(H,18,19);1H
InChIKeyYFVUCLAWHGKUGH-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.62
Rot. Bonds5

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride

N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride (PubChem CID 154903606) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride
PubChem CID154903606
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride
SMILESCC(C)(CC(=O)NCC1(O)CCNC1)c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-15(2,13-6-4-3-5-7-13)10-14(19)18-12-16(20)8-9-17-11-16;/h3-7,17,20H,8-12H2,1-2H3,(H,18,19);1H
InChIKeyYFVUCLAWHGKUGH-UHFFFAOYSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-phenylpropanamide
CID 114760630
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814
3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide
CID 124752089
2-(3-hydroxypyrrolidin-3-yl)-N-phenylacetamide
CID 84724654
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 56911658
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride (CID 154903606) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride is CC(C)(CC(=O)NCC1(O)CCNC1)c1ccccc1.Cl.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride?
The InChIKey is YFVUCLAWHGKUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-15(2,13-6-4-3-5-7-13)10-14(19)18-12-16(20)8-9-17-11-16;/h3-7,17,20H,8-12H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyl-3-phenylbutanamide;hydrochloride is sourced from PubChem (CID 154903606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).