(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide

C16H25N3O3 — CID 94641410

IUPAC(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-10(2)22-14-8-6-7-13(9-14)11(3)18-12(4)15(20)19-16(21)17-5/h6-12,18H,1-5H3,(H2,17,19,20,21)/t11-,12-/m1/s1
InChIKeyJQVVNRWQXWFPDO-VXGBXAGGSA-N
MW307.39 g/mol
LogP1.97
Rot. Bonds6

About (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide

(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide (PubChem CID 94641410) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
PubChem CID94641410
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-10(2)22-14-8-6-7-13(9-14)11(3)18-12(4)15(20)19-16(21)17-5/h6-12,18H,1-5H3,(H2,17,19,20,21)/t11-,12-/m1/s1
InChIKeyJQVVNRWQXWFPDO-VXGBXAGGSA-N
XLogP1.97
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
CID 51088764
(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 94817705
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 62225305
1,2-dimethyl-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 52516530
1,2-dimethyl-3-[1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 51131497
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide (CID 94641410) is (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide is CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1.
What is the InChIKey of (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide?
The InChIKey is JQVVNRWQXWFPDO-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)22-14-8-6-7-13(9-14)11(3)18-12(4)15(20)19-16(21)17-5/h6-12,18H,1-5H3,(H2,17,19,20,21)/t11-,12-/m1/s1.
What are the key properties of (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide?
(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 94641410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).