(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C19H21N3O3 — CID 53184818

IUPAC(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-18(13-5-2-1-3-6-13)21-17-10-15-9-14(17)12-22(15)19(24)20-11-16-7-4-8-25-16/h1-8,14-15,17H,9-12H2,(H,20,24)(H,21,23)/t14-,15-,17-/m0/s1
InChIKeyLVQYZUMKHHGRRB-ZOBUZTSGSA-N
MW339.39 g/mol
LogP2.38
Rot. Bonds4

About (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 53184818) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID53184818
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-18(13-5-2-1-3-6-13)21-17-10-15-9-14(17)12-22(15)19(24)20-11-16-7-4-8-25-16/h1-8,14-15,17H,9-12H2,(H,20,24)(H,21,23)/t14-,15-,17-/m0/s1
InChIKeyLVQYZUMKHHGRRB-ZOBUZTSGSA-N
XLogP2.38
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156609917
N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
CID 1415423
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
CID 53184800
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
N-bis(furan-2-ylmethylamino)phosphorylbenzamide
CID 86094455
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 53184818) is (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LVQYZUMKHHGRRB-ZOBUZTSGSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(13-5-2-1-3-6-13)21-17-10-15-9-14(17)12-22(15)19(24)20-11-16-7-4-8-25-16/h1-8,14-15,17H,9-12H2,(H,20,24)(H,21,23)/t14-,15-,17-/m0/s1.
What are the key properties of (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 53184818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).