N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

C17H28ClN3O3 — CID 119620715

IUPACN-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccco1)C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-13(20-17(22)15-9-6-12-23-15)16(21)19-11-10-18-14-7-4-2-3-5-8-14;/h6,9,12-14,18H,2-5,7-8,10-11H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyUHHSYESUBBRCIU-UHFFFAOYSA-N
MW357.88 g/mol
LogP2.25
Rot. Bonds7

About N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119620715) has the molecular formula C17H28ClN3O3 and a molecular weight of 357.88 g/mol. Its IUPAC name is N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119620715
Molecular FormulaC17H28ClN3O3
Molecular Weight357.88 g/mol
Exact Mass357.18
IUPAC NameN-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccco1)C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-13(20-17(22)15-9-6-12-23-15)16(21)19-11-10-18-14-7-4-2-3-5-8-14;/h6,9,12-14,18H,2-5,7-8,10-11H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyUHHSYESUBBRCIU-UHFFFAOYSA-N
XLogP2.25
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-[(2-methyl-2-piperidin-1-ylpropyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51164355

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (CID 119620715) is N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is CC(NC(=O)c1ccco1)C(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is UHHSYESUBBRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.ClH/c1-13(20-17(22)15-9-6-12-23-15)16(21)19-11-10-18-14-7-4-2-3-5-8-14;/h6,9,12-14,18H,2-5,7-8,10-11H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119620715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).