(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide

C18H27N3O3 — CID 98756379

IUPAC(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O3/c1-11(16(22)21-18(2,3)4)19-17(23)20-14-10-13(14)12-8-6-7-9-15(12)24-5/h6-9,11,13-14H,10H2,1-5H3,(H,21,22)(H2,19,20,23)/t11-,13+,14-/m1/s1
InChIKeyJZYHFIGORICCBM-KWCYVHTRSA-N
MW333.43 g/mol
LogP2.15
Rot. Bonds5

About (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide

(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide (PubChem CID 98756379) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide
PubChem CID98756379
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O3/c1-11(16(22)21-18(2,3)4)19-17(23)20-14-10-13(14)12-8-6-7-9-15(12)24-5/h6-9,11,13-14H,10H2,1-5H3,(H,21,22)(H2,19,20,23)/t11-,13+,14-/m1/s1
InChIKeyJZYHFIGORICCBM-KWCYVHTRSA-N
XLogP2.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518
(2R)-2-(2-cyanophenoxy)-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]propanamide
CID 100839950
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 95333729
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057
tert-butyl N-[3-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331056
N-tert-butyl-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]propanamide
CID 47075828
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95277861
1-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95277862
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 124734117
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide
CID 100866451
N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
CID 62224063

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide (CID 98756379) is (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide is COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide?
The InChIKey is JZYHFIGORICCBM-KWCYVHTRSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11(16(22)21-18(2,3)4)19-17(23)20-14-10-13(14)12-8-6-7-9-15(12)24-5/h6-9,11,13-14H,10H2,1-5H3,(H,21,22)(H2,19,20,23)/t11-,13+,14-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide?
(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide is sourced from PubChem (CID 98756379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).