N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C18H30N4O3 — CID 10893503

IUPACN-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(C#N)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C18H30N4O3/c1-18(2,13-19)21-16(23)15(12-14-6-4-3-5-7-14)20-17(24)22-8-10-25-11-9-22/h14-15H,3-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyNFVXWBGWPWEOAA-HNNXBMFYSA-N
MW350.46 g/mol
LogP1.79
Rot. Bonds5

About N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 10893503) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID10893503
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCC(C)(C#N)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C18H30N4O3/c1-18(2,13-19)21-16(23)15(12-14-6-4-3-5-7-14)20-17(24)22-8-10-25-11-9-22/h14-15H,3-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1
InChIKeyNFVXWBGWPWEOAA-HNNXBMFYSA-N
XLogP1.79
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 10893503) is N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is CC(C)(C#N)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is NFVXWBGWPWEOAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-18(2,13-19)21-16(23)15(12-14-6-4-3-5-7-14)20-17(24)22-8-10-25-11-9-22/h14-15H,3-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-cyanopropan-2-ylamino)-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 10893503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).