1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea

C19H29N3O3 — CID 124616800

IUPAC1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCC(=O)N1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-15(13-19(2,3)16-7-5-4-6-8-16)21-18(24)20-14-17(23)22-9-11-25-12-10-22/h4-8,15H,9-14H2,1-3H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyNFBUOABECJNUNK-HNNXBMFYSA-N
MW347.46 g/mol
LogP1.90
Rot. Bonds6

About 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea

1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea (PubChem CID 124616800) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea.

Molecular Properties

Compound Name1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
PubChem CID124616800
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCC(=O)N1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-15(13-19(2,3)16-7-5-4-6-8-16)21-18(24)20-14-17(23)22-9-11-25-12-10-22/h4-8,15H,9-14H2,1-3H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyNFBUOABECJNUNK-HNNXBMFYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 78860899
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
CID 110306164
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
CID 122133360
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886974
2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 60591570
N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine
CID 43778507
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The IUPAC name of 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea (CID 124616800) is 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea.
What is the SMILES notation for 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The canonical SMILES for 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea is C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCC(=O)N1CCOCC1.
What is the InChIKey of 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The InChIKey is NFBUOABECJNUNK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(13-19(2,3)16-7-5-4-6-8-16)21-18(24)20-14-17(23)22-9-11-25-12-10-22/h4-8,15H,9-14H2,1-3H3,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea?
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea has a molecular weight of 347.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea is sourced from PubChem (CID 124616800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).