N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride

C19H29ClN2O2 — CID 44828372

IUPACN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-16(21-11-5-6-12-21)18(22)20-15-19(9-13-23-14-10-19)17-7-3-2-4-8-17;/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,20,22);1H
InChIKeyDPMNTCLBAIHXKP-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.76
Rot. Bonds5

About N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride

N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride (PubChem CID 44828372) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
PubChem CID44828372
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-16(21-11-5-6-12-21)18(22)20-15-19(9-13-23-14-10-19)17-7-3-2-4-8-17;/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,20,22);1H
InChIKeyDPMNTCLBAIHXKP-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111855636

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride (CID 44828372) is N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride is CC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1.Cl.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride?
The InChIKey is DPMNTCLBAIHXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-16(21-11-5-6-12-21)18(22)20-15-19(9-13-23-14-10-19)17-7-3-2-4-8-17;/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,20,22);1H.
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride?
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 44828372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).