1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea

C19H29N3O3 — CID 129479867

IUPAC1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)20-18(24)21-15-8-6-14(7-9-15)17(23)22-10-11-25-16(12-22)19(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyZQVGBYKGPXASIP-INIZCTEOSA-N
MW347.46 g/mol
LogP3.10
Rot. Bonds3

About 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea

1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 129479867) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID129479867
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)20-18(24)21-15-8-6-14(7-9-15)17(23)22-10-11-25-16(12-22)19(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyZQVGBYKGPXASIP-INIZCTEOSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea 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

1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
1-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-propan-2-ylurea
CID 120657026
[(2S)-2-tert-butylmorpholin-4-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 100739577
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 119178659
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
CID 120814203
(2-tert-butylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005848
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120746328

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea (CID 129479867) is 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1.
What is the InChIKey of 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is ZQVGBYKGPXASIP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)20-18(24)21-15-8-6-14(7-9-15)17(23)22-10-11-25-16(12-22)19(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H2,20,21,24)/t16-/m0/s1.
What are the key properties of 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea?
1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 347.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-tert-butylmorpholine-4-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 129479867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).