N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

C17H30N4O3 — CID 10860703

IUPACN-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)(C)C
InChIInChI=1S/C17H30N4O3/c1-12(2)10-13(15(22)20-14(11-18)17(3,4)5)19-16(23)21-6-8-24-9-7-21/h12-14H,6-10H2,1-5H3,(H,19,23)(H,20,22)/t13-,14+/m0/s1
InChIKeyCRTRBDYHLPNDJP-UONOGXRCSA-N
MW338.45 g/mol
LogP1.50
Rot. Bonds5

About N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 10860703) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID10860703
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)(C)C
InChIInChI=1S/C17H30N4O3/c1-12(2)10-13(15(22)20-14(11-18)17(3,4)5)19-16(23)21-6-8-24-9-7-21/h12-14H,6-10H2,1-5H3,(H,19,23)(H,20,22)/t13-,14+/m0/s1
InChIKeyCRTRBDYHLPNDJP-UONOGXRCSA-N
XLogP1.50
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 10860703) is N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is CRTRBDYHLPNDJP-UONOGXRCSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12(2)10-13(15(22)20-14(11-18)17(3,4)5)19-16(23)21-6-8-24-9-7-21/h12-14H,6-10H2,1-5H3,(H,19,23)(H,20,22)/t13-,14+/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 10860703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).