(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide

C18H27N3O4 — CID 94666909

IUPAC(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide
SMILESCCO[C@H](CC)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C18H27N3O4/c1-3-16(24-4-2)17(22)20-13-7-9-14(10-8-13)21-18(23)19-12-15-6-5-11-25-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,20,22)(H2,19,21,23)/t15-,16-/m1/s1
InChIKeyLVFKPOSGUZKRQJ-HZPDHXFCSA-N
MW349.43 g/mol
LogP2.74
Rot. Bonds8

About (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide

(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide (PubChem CID 94666909) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide
PubChem CID94666909
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide
SMILESCCO[C@H](CC)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C18H27N3O4/c1-3-16(24-4-2)17(22)20-13-7-9-14(10-8-13)21-18(23)19-12-15-6-5-11-25-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,20,22)(H2,19,21,23)/t15-,16-/m1/s1
InChIKeyLVFKPOSGUZKRQJ-HZPDHXFCSA-N
XLogP2.74
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
2-amino-2-(oxan-4-yl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 120785442
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide?
The IUPAC name of (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide (CID 94666909) is (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide is CCO[C@H](CC)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide?
The InChIKey is LVFKPOSGUZKRQJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-16(24-4-2)17(22)20-13-7-9-14(10-8-13)21-18(23)19-12-15-6-5-11-25-15/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,20,22)(H2,19,21,23)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide?
(2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide has a molecular weight of 349.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]butanamide is sourced from PubChem (CID 94666909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).