N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119305213

IUPACN-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C16H23N3O3.ClH/c17-8-2-7-15(20)18-11-12-4-1-5-13(10-12)19-16(21)14-6-3-9-22-14;/h1,4-5,10,14H,2-3,6-9,11,17H2,(H,18,20)(H,19,21);1H
InChIKeyIGWHDDMQZWYBHD-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.58
Rot. Bonds7

About N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119305213) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119305213
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C16H23N3O3.ClH/c17-8-2-7-15(20)18-11-12-4-1-5-13(10-12)19-16(21)14-6-3-9-22-14;/h1,4-5,10,14H,2-3,6-9,11,17H2,(H,18,20)(H,19,21);1H
InChIKeyIGWHDDMQZWYBHD-UHFFFAOYSA-N
XLogP1.58
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119751979
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CID 119305205
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[(2-aminobenzoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119945005
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
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N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
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N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-(aminomethyl)-N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119752010

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 119305213) is N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride is Cl.NCCCC(=O)NCc1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is IGWHDDMQZWYBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c17-8-2-7-15(20)18-11-12-4-1-5-13(10-12)19-16(21)14-6-3-9-22-14;/h1,4-5,10,14H,2-3,6-9,11,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119305213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).