2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide

C20H31N3O2 — CID 95635900

IUPAC2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCC[C@H](C)[C@H](C)N(C(=O)Nc1ccccc1CC(=O)N(C)C)C1CC1
InChIInChI=1S/C20H31N3O2/c1-6-14(2)15(3)23(17-11-12-17)20(25)21-18-10-8-7-9-16(18)13-19(24)22(4)5/h7-10,14-15,17H,6,11-13H2,1-5H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyQCJCSRUBANXZJR-GJZGRUSLSA-N
MW345.49 g/mol
LogP3.75
Rot. Bonds7

About 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide

2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 95635900) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
PubChem CID95635900
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCC[C@H](C)[C@H](C)N(C(=O)Nc1ccccc1CC(=O)N(C)C)C1CC1
InChIInChI=1S/C20H31N3O2/c1-6-14(2)15(3)23(17-11-12-17)20(25)21-18-10-8-7-9-16(18)13-19(24)22(4)5/h7-10,14-15,17H,6,11-13H2,1-5H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyQCJCSRUBANXZJR-GJZGRUSLSA-N
XLogP3.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide (CID 95635900) is 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide is CC[C@H](C)[C@H](C)N(C(=O)Nc1ccccc1CC(=O)N(C)C)C1CC1.
What is the InChIKey of 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is QCJCSRUBANXZJR-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-6-14(2)15(3)23(17-11-12-17)20(25)21-18-10-8-7-9-16(18)13-19(24)22(4)5/h7-10,14-15,17H,6,11-13H2,1-5H3,(H,21,25)/t14-,15-/m0/s1.
What are the key properties of 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide?
2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 345.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 95635900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).