N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C19H22N2O4 — CID 71917838

IUPACN-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCC1(CO)CC1)c1ccco1
InChIInChI=1S/C19H22N2O4/c22-13-19(8-9-19)12-20-17(23)15(11-14-5-2-1-3-6-14)21-18(24)16-7-4-10-25-16/h1-7,10,15,22H,8-9,11-13H2,(H,20,23)(H,21,24)
InChIKeyREIKCBLHASJNST-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.51
Rot. Bonds8

About N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 71917838) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID71917838
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCC1(CO)CC1)c1ccco1
InChIInChI=1S/C19H22N2O4/c22-13-19(8-9-19)12-20-17(23)15(11-14-5-2-1-3-6-14)21-18(24)16-7-4-10-25-16/h1-7,10,15,22H,8-9,11-13H2,(H,20,23)(H,21,24)
InChIKeyREIKCBLHASJNST-UHFFFAOYSA-N
XLogP1.51
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-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

N-[1-[(1-hydroxycyclobutyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 111445302
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 120888678
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 71917838) is N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCC1(CO)CC1)c1ccco1.
What is the InChIKey of N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is REIKCBLHASJNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-13-19(8-9-19)12-20-17(23)15(11-14-5-2-1-3-6-14)21-18(24)16-7-4-10-25-16/h1-7,10,15,22H,8-9,11-13H2,(H,20,23)(H,21,24).
What are the key properties of N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 71917838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).