(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide

C20H27N3O4 — CID 95767363

IUPAC(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cc1)[C@H]1CCCO1
InChIInChI=1S/C20H27N3O4/c24-19(18-2-1-10-27-18)21-15-3-5-16(6-4-15)22-20(25)23(17-7-8-17)12-14-9-11-26-13-14/h3-6,14,17-18H,1-2,7-13H2,(H,21,24)(H,22,25)/t14-,18-/m1/s1
InChIKeyJZSDAFAYMIIXKY-RDTXWAMCSA-N
MW373.45 g/mol
LogP2.84
Rot. Bonds6

About (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide

(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 95767363) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID95767363
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cc1)[C@H]1CCCO1
InChIInChI=1S/C20H27N3O4/c24-19(18-2-1-10-27-18)21-15-3-5-16(6-4-15)22-20(25)23(17-7-8-17)12-14-9-11-26-13-14/h3-6,14,17-18H,1-2,7-13H2,(H,21,24)(H,22,25)/t14-,18-/m1/s1
InChIKeyJZSDAFAYMIIXKY-RDTXWAMCSA-N
XLogP2.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1-(oxolan-3-ylmethyl)urea
CID 167926302
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 75414860
N-[3-[[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 109381682
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide (CID 95767363) is (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is JZSDAFAYMIIXKY-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-19(18-2-1-10-27-18)21-15-3-5-16(6-4-15)22-20(25)23(17-7-8-17)12-14-9-11-26-13-14/h3-6,14,17-18H,1-2,7-13H2,(H,21,24)(H,22,25)/t14-,18-/m1/s1.
What are the key properties of (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 95767363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).