N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H27ClN4O2 — CID 119730375

IUPACN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)20-17(23)21-14-7-5-13(6-8-14)11-19-16(22)10-15-4-3-9-18-15;/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,22)(H2,20,21,23);1H
InChIKeyQRBUPAOIWLPLFS-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.40
Rot. Bonds6

About N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119730375) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119730375
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)20-17(23)21-14-7-5-13(6-8-14)11-19-16(22)10-15-4-3-9-18-15;/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,22)(H2,20,21,23);1H
InChIKeyQRBUPAOIWLPLFS-UHFFFAOYSA-N
XLogP2.40
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119730376
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-(cyclopropylmethylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 119730358
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46456745
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119730381
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119716947
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119730375) is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(C)NC(=O)Nc1ccc(CNC(=O)CC2CCCN2)cc1.Cl.
What is the InChIKey of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is QRBUPAOIWLPLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-12(2)20-17(23)21-14-7-5-13(6-8-14)11-19-16(22)10-15-4-3-9-18-15;/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,22)(H2,20,21,23);1H.
What are the key properties of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119730375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).