tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate

C19H29N3O4 — CID 95975305

IUPACtert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate
SMILESCOc1ccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(24)20-12-19(4,13-6-7-13)22-16(23)21-14-8-10-15(25-5)11-9-14/h8-11,13H,6-7,12H2,1-5H3,(H,20,24)(H2,21,22,23)/t19-/m1/s1
InChIKeyFRDJNMMRYOYPOZ-LJQANCHMSA-N
MW363.46 g/mol
LogP3.51
Rot. Bonds6

About tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate

tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate (PubChem CID 95975305) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate
PubChem CID95975305
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate
SMILESCOc1ccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(24)20-12-19(4,13-6-7-13)22-16(23)21-14-8-10-15(25-5)11-9-14/h8-11,13H,6-7,12H2,1-5H3,(H,20,24)(H2,21,22,23)/t19-/m1/s1
InChIKeyFRDJNMMRYOYPOZ-LJQANCHMSA-N
XLogP3.51
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate (CID 95975305) is tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate is COc1ccc(NC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1.
What is the InChIKey of tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate?
The InChIKey is FRDJNMMRYOYPOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-18(2,3)26-17(24)20-12-19(4,13-6-7-13)22-16(23)21-14-8-10-15(25-5)11-9-14/h8-11,13H,6-7,12H2,1-5H3,(H,20,24)(H2,21,22,23)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate?
tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate is sourced from PubChem (CID 95975305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).